Chembase list of 866358 unique molecular structures

4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid

$$$$ Data

M. F.

C9H13N3O4

Suppliers	Catalog Number
Matrix Scientific	039744
InterBioScreen	BB_SC-10167

Database	Data ID
PubChem	2057146

M. W.

227.21722

CAS

Similarity

N/A

ID: 36952

5-nitro-1H-pyrazole-3-carboxamide

$$$$ Data

M. F.

C4H4N4O3

Suppliers	Catalog Number
Matrix Scientific	039745
Apollo Scientific	OR13270

Database	Data ID
PubChem	1269846

M. W.

156.09956

CAS

Similarity

N/A

ID: 36953

methyl 5-nitro-1H-pyrazole-3-carboxylate

$$$$ Data More

M. F.

C5H5N3O4

Suppliers	Catalog Number
Matrix Scientific	039746
Key Organics	MB-0822
Bide Pharmatech	BD104972

Database	Data ID
PubChem	1283478

M. W.

171.1109

CAS

181585-93-3

Similarity

N/A

ID: 36954

1H-indazol-7-amine dihydrochloride

$$$$ Data

M. F.

C7H9Cl2N3

Suppliers	Catalog Number
Matrix Scientific	039747

Database	Data ID
PubChem	19354422

M. W.

206.07246

CAS

Similarity

N/A

ID: 36955

5-bromo-1-methyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C10H8BrNO

Suppliers	Catalog Number
ChemBridge	5100225
Matrix Scientific	039748
Maybridge	CC75304

Database	Data ID
PubChem	778451

M. W.

238.08062

CAS

10102-94-0

Similarity

N/A

ID: 36956

1H-1,3-benzodiazol-7-amine dihydrochloride

$$$$ Data

M. F.

C7H9Cl2N3

Suppliers	Catalog Number
Matrix Scientific	039749
Enamine	EN300-41693

Database	Data ID
PubChem	43810787

M. W.

206.07246

CAS

Similarity

N/A

ID: 36957

3-aminopyridine-4-carboxylic acid

$$$$ Data More

M. F.

C6H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	710849
Alfa Aesar	H28714
Matrix Scientific	039750

Database	Data ID
PubChem	459531

M. W.

138.12404

CAS

7579-20-6

Similarity

N/A

ID: 36958

5-nitro-1H-imidazole-4-carboxylic acid

$$$$ Data

M. F.

C4H3N3O4

Suppliers	Catalog Number
Matrix Scientific	039751
A&J Pharmtech	AJA-O34375

Database	Data ID
PubChem	148379

M. W.

157.08432

CAS

40507-59-3

Similarity

N/A

ID: 36959

2-methoxy-3-(trifluoromethyl)benzoic acid

$$$$ Data

M. F.

C9H7F3O3

Suppliers	Catalog Number
Alfa Aesar	H32198
Matrix Scientific	039752

Database	Data ID
PubChem	21544491

M. W.

220.1452896

CAS

Similarity

N/A

ID: 36960

1,3-benzothiazole-2-carbonitrile

$$$$ Data

M. F.

C8H4N2S

Suppliers	Catalog Number
Matrix Scientific	039753

Database	Data ID
PubChem	638560

M. W.

160.19576

CAS

Similarity

N/A

ID: 36961

2,4-dimethoxypyrimidine-5-carbaldehyde

$$$$ Data More

M. F.

C7H8N2O3

Suppliers	Catalog Number
Matrix Scientific	039754
Apollo Scientific	OR3216
TRC	F700100

Database	Data ID
PubChem	597782

M. W.

168.15002

CAS

52606-02-7

Similarity

N/A

ID: 36962

methyl 3-methyl-1,2-thiazole-4-carboxylate

$$$$ Data

M. F.

C6H7NO2S

Suppliers	Catalog Number
Matrix Scientific	039755

Database	Data ID
PubChem	14707890

M. W.

157.19028

CAS

Similarity

N/A

ID: 36963

5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C10H10N4O2

Suppliers	Catalog Number
Matrix Scientific	039756
Apollo Scientific	OR13365
Enamine	EN300-82311

Database	Data ID
PubChem	225434

M. W.

218.212

CAS

25784-56-9

Similarity

N/A

ID: 36964

1-benzyl-1H-1,2,3-triazol-5-amine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Matrix Scientific	039757
Enamine	EN300-82314

Database	Data ID
PubChem	23361771

M. W.

174.2025

CAS

Similarity

N/A

ID: 36965

2,2-dimethyl-2,3-dihydro-1-benzofuran

$$$$ Data

M. F.

C10H12O

Suppliers	Catalog Number
Matrix Scientific	039758

Database	Data ID
PubChem	80640

M. W.

148.20168

CAS

6337-33-3

Similarity

N/A

ID: 36966

2-(ethylsulfanyl)pyrimidin-4-amine

$$$$ Data

M. F.

C6H9N3S

Suppliers	Catalog Number
ChemBridge	4030498
Matrix Scientific	039759

Database	Data ID
PubChem	565730

M. W.

155.22076

CAS

54308-63-3

Similarity

N/A

ID: 36967

3-chloro-N-methylpyridin-2-amine

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
Matrix Scientific	039760

Database	Data ID
PubChem	18332363

M. W.

142.58618

CAS

Similarity

N/A

ID: 36968

3-methyl-1,2,5-thiadiazole

$$$$ Data

M. F.

C3H4N2S

Suppliers	Catalog Number
Matrix Scientific	039761

Database	Data ID
PubChem	13248941

M. W.

100.14226

CAS

Similarity

N/A

ID: 36969

{1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}methanol hydrochloride

$$$$ Data

M. F.

C12H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	039762

Database	Data ID
PubChem	46736981

M. W.

238.7133

CAS

Similarity

N/A

ID: 36970

2-(oxan-3-yl)acetic acid

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
ChemBridge	4004917
Matrix Scientific	039763

Database	Data ID
PubChem	22965767

M. W.

144.16838

CAS

102539-71-9

Similarity

N/A

ID: 36971

2-(oxan-3-yl)acetonitrile

$$$$ Data

M. F.

C7H11NO

Suppliers	Catalog Number
ChemBridge	4036196
Matrix Scientific	039764

Database	Data ID
PubChem	25220429

M. W.

125.16834

CAS

885271-49-8

Similarity

N/A

ID: 36972

3-(1H-imidazol-1-yl)propanamide

$$$$ Data

M. F.

C6H9N3O

Suppliers	Catalog Number
Matrix Scientific	039765
Enamine	EN300-74699

Database	Data ID
PubChem	14088730

M. W.

139.15516

CAS

Similarity

N/A

ID: 36973

(2-methyloxolan-2-yl)methanamine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4018199
Matrix Scientific	039766
Enamine	EN300-104176

Database	Data ID
PubChem	111269

M. W.

115.17352

CAS

7179-94-4

Similarity

N/A

ID: 36974

quinoline-7-carbonitrile

$$$$ Data

M. F.

C10H6N2

Suppliers	Catalog Number
ChemBridge	4036036
Matrix Scientific	039767

Database	Data ID
PubChem	22344048

M. W.

154.16804

CAS

67360-38-7

Similarity

N/A

ID: 36975

1-(pyridin-4-ylmethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Matrix Scientific	039768

Database	Data ID
PubChem	11745154

M. W.

176.21508

CAS

132312-62-0

Similarity

N/A

ID: 36976

4-[(E)-2-(3-fluorophenyl)ethenyl]pyridine hydrochloride

$$$$ Data

M. F.

C13H11ClFN

Suppliers	Catalog Number
Matrix Scientific	039769

Database	Data ID
PubChem	46736982

M. W.

235.6845432

CAS

Similarity

N/A

ID: 36977

methyl 2-[4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetate

$$$$ Data

M. F.

C14H14N2O4

Suppliers	Catalog Number
Matrix Scientific	039770

Database	Data ID
PubChem	25220431

M. W.

274.27196

CAS

Similarity

N/A

ID: 36978

dimethyl(1H-pyrrol-2-ylmethyl)amine

$$$$ Data

M. F.

C7H12N2

Suppliers	Catalog Number
Matrix Scientific	039771

Database	Data ID
PubChem	260796

M. W.

124.18358

CAS

14745-84-7

Similarity

N/A

ID: 36979

2-chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one

$$$$ Data

M. F.

C8H9ClOS

Suppliers	Catalog Number
Matrix Scientific	039772
Enamine	EN300-13278

Database	Data ID
PubChem	678545

M. W.

188.67446

CAS

31772-43-7

Similarity

N/A

ID: 36980

2-(carboxycarbonyl)benzoic acid

$$$$ Data

M. F.

C9H6O5

Suppliers	Catalog Number
Matrix Scientific	039773

Database	Data ID
PubChem	10710

M. W.

194.14094

CAS

528-46-1

Similarity

N/A

ID: 36981

1,3-diethyl 2-[(2,4-dinitrophenyl)amino]propanedioate

$$$$ Data

M. F.

C13H15N3O8

Suppliers	Catalog Number
Matrix Scientific	039774

Database	Data ID
PubChem	25220432

M. W.

341.2735

CAS

Similarity

N/A

ID: 36982

2,2-dichloro-N'-(4-nitrobenzoyl)acetohydrazide

$$$$ Data

M. F.

C9H7Cl2N3O4

Suppliers	Catalog Number
Matrix Scientific	039775

Database	Data ID
PubChem	3339000

M. W.

292.07558

CAS

Similarity

N/A

ID: 36983

1-(4-phenoxyphenyl)-2-phenylethan-1-one

$$$$ Data

M. F.

C20H16O2

Suppliers	Catalog Number
Matrix Scientific	039776

Database	Data ID
PubChem	2303560

M. W.

288.33984

CAS

Similarity

N/A

ID: 36984

ethyl 2-hydroxy-2-(4-phenoxyphenyl)-3-phenylpropanoate

$$$$ Data

M. F.

C23H22O4

Suppliers	Catalog Number
Matrix Scientific	039777

Database	Data ID
PubChem	25220433

M. W.

362.41838

CAS

Similarity

N/A

ID: 36985

3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

$$$$ Data

M. F.

C10H9NO2S2

Suppliers	Catalog Number
Matrix Scientific	039778

Database	Data ID
PubChem	220736

M. W.

239.31396

CAS

5350-09-4

Similarity

N/A

ID: 36986

2-sulfanylidene-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

$$$$ Data

M. F.

C10H6F3NOS2

Suppliers	Catalog Number
Matrix Scientific	039779

Database	Data ID
PubChem	322307

M. W.

277.2859496

CAS

57669-54-2

Similarity

N/A

ID: 36987

3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

$$$$ Data

M. F.

C9H6ClNOS2

Suppliers	Catalog Number
Matrix Scientific	039780
Apollo Scientific	OR14443

Database	Data ID
PubChem	83070

M. W.

243.73304

CAS

13037-55-3

Similarity

N/A

ID: 36988

3-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

$$$$ Data

M. F.

C11H11NOS2

Suppliers	Catalog Number
Matrix Scientific	039781

Database	Data ID
PubChem	1373096

M. W.

237.34114

CAS

Similarity

N/A

ID: 36989

3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

$$$$ Data

M. F.

C9H5Cl2NOS2

Suppliers	Catalog Number
Matrix Scientific	039782

Database	Data ID
PubChem	17384675

M. W.

278.1781

CAS

Similarity

N/A

ID: 36990

2-(4-aminophenoxy)-N-(4-chlorophenyl)acetamide

$$$$ Data

M. F.

C14H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	039783

Database	Data ID
PubChem	20120177

M. W.

276.71822

CAS

Similarity

N/A

ID: 36991

2-(4-formyl-3-phenyl-1H-pyrazol-1-yl)acetic acid

$$$$ Data

M. F.

C12H10N2O3

Suppliers	Catalog Number
Matrix Scientific	039784

Database	Data ID
PubChem	694133

M. W.

230.2194

CAS

Similarity

N/A

ID: 36992

2-(4-formyl-3-phenyl-1H-pyrazol-1-yl)-N-phenylacetamide

$$$$ Data

M. F.

C18H15N3O2

Suppliers	Catalog Number
Matrix Scientific	039785

Database	Data ID
PubChem	24206536

M. W.

305.3306

CAS

Similarity

N/A

ID: 36993

2-[4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetic acid

$$$$ Data

M. F.

C13H12N2O4

Suppliers	Catalog Number
Matrix Scientific	039786

Database	Data ID
PubChem	974440

M. W.

260.24538

CAS

Similarity

N/A

ID: 36994

3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Matrix Scientific	039787
Enamine	EN300-69241

Database	Data ID
PubChem	9430043

M. W.

186.2099

CAS

Similarity

N/A

ID: 36995

2-(4-formyl-3-phenyl-1H-pyrazol-1-yl)acetamide

$$$$ Data

M. F.

C12H11N3O2

Suppliers	Catalog Number
Matrix Scientific	039788

Database	Data ID
PubChem	9430032

M. W.

229.23464

CAS

Similarity

N/A

ID: 36996

2-(3,4-dimethylphenyl)-2-oxoethyl acetate

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Matrix Scientific	039789

Database	Data ID
PubChem	21403508

M. W.

206.23776

CAS

Similarity

N/A

ID: 36997

2-chloro-1-(3,4-dimethylphenyl)ethan-1-one

$$$$ Data

M. F.

C10H11ClO

Suppliers	Catalog Number
ChemBridge	4032725
Matrix Scientific	039790
Enamine	EN300-02021

Database	Data ID
PubChem	2392250

M. W.

182.64674

CAS

50690-08-9

Similarity

N/A

ID: 36998

2-{4-[(benzylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}-N-phenylacetamide hydrochlo...

$$$$ Data

M. F.

C25H25ClN4O

Suppliers	Catalog Number
Matrix Scientific	039791

Database	Data ID
PubChem	46736983

M. W.

432.9452

CAS

Similarity

N/A

ID: 36999

2-bromo-3-methoxypyridin-1-ium-1-olate

$$$$ Data

M. F.

C6H6BrNO2

Suppliers	Catalog Number
Matrix Scientific	039792

Database	Data ID
PubChem	25220435

M. W.

204.02134

CAS

Similarity

N/A

ID: 37000

2-(4-aminophenoxy)-N-(2,6-dimethylphenyl)acetamide

$$$$ Data

M. F.

C16H18N2O2

Suppliers	Catalog Number
Matrix Scientific	039793

Database	Data ID
PubChem	9430034

M. W.

270.32632

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified