Chembase list of 866358 unique molecular structures

3-{[(1-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}propanoic acid

$$$$ Data

M. F.

C9H13N3O3

Suppliers	Catalog Number
Enamine	EN300-92864

Database	Data ID
PubChem	19577908

M. W.

211.21782

CAS

Similarity

N/A

ID: 283852

7-(chloromethyl)-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C8H6ClN3O3

Suppliers	Catalog Number
Enamine	EN300-92865

Database	Data ID
PubChem	7018659

M. W.

227.60454

CAS

Similarity

N/A

ID: 283853

2-{[(4-chloro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid

$$$$ Data

M. F.

C6H7ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-92867

Database	Data ID
PubChem	7017749

M. W.

206.64998

CAS

Similarity

N/A

ID: 283854

1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C6H6F2N2O2

Suppliers	Catalog Number
Enamine	EN300-92868

Database	Data ID
PubChem	19616497

M. W.

176.1208464

CAS

Similarity

N/A

ID: 283855

2-[3-cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid

$$$$ Data

M. F.

C9H10F2N2O2

Suppliers	Catalog Number
Enamine	EN300-92869

Database	Data ID
PubChem	7018686

M. W.

216.1847064

CAS

Similarity

N/A

ID: 283856

3,6-dimethyl-1-propyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Enamine	EN300-92870

Database	Data ID
PubChem	7174596

M. W.

233.2664

CAS

Similarity

N/A

ID: 283857

2-[3-(difluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetic acid

$$$$ Data

M. F.

C9H10F2N2O2

Suppliers	Catalog Number
Enamine	EN300-92871

Database	Data ID
PubChem	19614722

M. W.

216.1847064

CAS

Similarity

N/A

ID: 283858

1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-4-carboxylic acid

$$$$ Data

M. F.

C17H17N5O2

Suppliers	Catalog Number
Enamine	EN300-92874

Database	Data ID
PubChem	19616732

M. W.

323.34918

CAS

Similarity

N/A

ID: 283859

2-[2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-oxoacetic acid

$$$$ Data

M. F.

C12H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-92878

Database	Data ID
PubChem	19616915

M. W.

264.30028

CAS

Similarity

N/A

ID: 283860

2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C5H8N4O2S

Suppliers	Catalog Number
Enamine	EN300-92879

Database	Data ID
PubChem	16780832

M. W.

188.20762

CAS

Similarity

N/A

ID: 283861

5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid

$$$$ Data

M. F.

C9H6BrN3O5

Suppliers	Catalog Number
Enamine	EN300-92880

Database	Data ID
PubChem	676370

M. W.

316.06504

CAS

Similarity

N/A

ID: 283862

2-(2,4,6-trichlorophenoxy)acetic acid

$$$$ Data

M. F.

C8H5Cl3O3

Suppliers	Catalog Number
Enamine	EN300-92881

Database	Data ID
PubChem	11331

M. W.

255.4825

CAS

Similarity

N/A

ID: 283863

2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]butanoic acid

$$$$ Data

M. F.

C11H13F3N2O2

Suppliers	Catalog Number
Enamine	EN300-92883

Database	Data ID
PubChem	19616897

M. W.

262.2283296

CAS

Similarity

N/A

ID: 283864

4-chloro-1-propyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C7H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-92885

Database	Data ID
PubChem	6485388

M. W.

188.61156

CAS

Similarity

N/A

ID: 283865

5-(4-bromo-2-chlorophenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C12H8BrClO4

Suppliers	Catalog Number
Enamine	EN300-92886

Database	Data ID
PubChem	17024633

M. W.

331.54652

CAS

Similarity

N/A

ID: 283866

4-amino-1,5-dimethyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C6H9N3O2

Suppliers	Catalog Number
Enamine	EN300-92887

Database	Data ID
PubChem	19614737

M. W.

155.15456

CAS

Similarity

N/A

ID: 283867

1-(2-methylphenoxymethyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Enamine	EN300-92889

Database	Data ID
PubChem	7018668

M. W.

232.23528

CAS

Similarity

N/A

ID: 283868

7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C8H4F3N3O2

Suppliers	Catalog Number
Enamine	EN300-92890

Database	Data ID
PubChem	7017531

M. W.

231.1314696

CAS

Similarity

N/A

ID: 283869

2-(4-methylphenyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Enamine	EN300-92892

Database	Data ID
PubChem	23423017

M. W.

176.21178

CAS

Similarity

N/A

ID: 283870

6-cyclopropyl-1-propyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Enamine	EN300-92893

Database	Data ID
PubChem	19616514

M. W.

245.2771

CAS

Similarity

N/A

ID: 283871

4-amino-1-ethyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C6H9N3O2

Suppliers	Catalog Number
Enamine	EN300-92894

Database	Data ID
PubChem	19614637

M. W.

155.15456

CAS

Similarity

N/A

ID: 283872

4-chloro-1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C11H9ClN2O3

Suppliers	Catalog Number
Enamine	EN300-92895

Database	Data ID
PubChem	19616739

M. W.

252.65376

CAS

Similarity

N/A

ID: 283873

1-cyclopentyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Enamine	EN300-92897

Database	Data ID
PubChem	19616724

M. W.

180.20378

CAS

Similarity

N/A

ID: 283874

1-(4-ethylphenoxymethyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C13H14N2O3

Suppliers	Catalog Number
Enamine	EN300-92898

Database	Data ID
PubChem	19618671

M. W.

246.26186

CAS

Similarity

N/A

ID: 283875

1-cyclopentyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Enamine	EN300-92901

Database	Data ID
PubChem	19616725

M. W.

180.20378

CAS

Similarity

N/A

ID: 283876

4-chloro-1-(4-fluorophenoxymethyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C11H8ClFN2O3

Suppliers	Catalog Number
Enamine	EN300-92903

Database	Data ID
PubChem	7017348

M. W.

270.6442232

CAS

Similarity

N/A

ID: 283877

2-(hydroxymethyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C9H8N2O3

Suppliers	Catalog Number
ChemBridge	4043122
Enamine	EN300-92904

Database	Data ID
PubChem	768518

M. W.

192.17142

CAS

247128-20-7

Similarity

N/A

ID: 283878

3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid

$$$$ Data

M. F.

C10H10O2S

Suppliers	Catalog Number
Enamine	EN300-92906

Database	Data ID
PubChem	54595778

M. W.

194.2502

CAS

Similarity

N/A

ID: 283879

1,2λ⁶-oxathiolane-2,2,5-trione

$$$$ Data

M. F.

C3H4O4S

Suppliers	Catalog Number
Enamine	EN300-92907

Database	Data ID
PubChem	80064

M. W.

136.12646

CAS

Similarity

N/A

ID: 283880

2-(ethanesulfonyl)-6-fluoroaniline

$$$$ Data

M. F.

C8H10FNO2S

Suppliers	Catalog Number
Enamine	EN300-92908

Database	Data ID
PubChem	54595779

M. W.

203.2339032

CAS

Similarity

N/A

ID: 283881

3-(methylamino)-3-phenylpropan-1-ol

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-92909

Database	Data ID
PubChem	12471542

M. W.

165.2322

CAS

Similarity

N/A

ID: 283882

[2-(phenoxymethyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H13BO3

Suppliers	Catalog Number
Enamine	EN300-92910

Database	Data ID
PubChem	54595780

M. W.

228.05152

CAS

Similarity

N/A

ID: 283883

2-fluoro-5-(furan-2-yl)aniline

$$$$ Data

M. F.

C10H8FNO

Suppliers	Catalog Number
Enamine	EN300-92911

Database	Data ID
PubChem	54595781

M. W.

177.1750232

CAS

Similarity

N/A

ID: 283884

tert-butyl N-[3-(carbamoylamino)-3-oxopropyl]carbamate

$$$$ Data

M. F.

C9H17N3O4

Suppliers	Catalog Number
Enamine	EN300-92912

Database	Data ID
PubChem	54595782

M. W.

231.24898

CAS

Similarity

N/A

ID: 283885

4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine

$$$$ Data

M. F.

C9H12Cl2N2

Suppliers	Catalog Number
Enamine	EN300-92918

Database	Data ID
PubChem	54595783

M. W.

219.11098

CAS

Similarity

N/A

ID: 283886

(3-methylbutyl)(6-methylheptan-2-yl)amine

$$$$ Data

M. F.

C13H29N

Suppliers	Catalog Number
Enamine	EN300-92921

Database	Data ID
PubChem	10406

M. W.

199.37606

CAS

Similarity

N/A

ID: 283887

3-(4-methylpiperazin-1-yl)azepane

$$$$ Data

M. F.

C11H23N3

Suppliers	Catalog Number
Enamine	EN300-92922

Database	Data ID
PubChem	54595784

M. W.

197.32042

CAS

Similarity

N/A

ID: 283888

3-(2-methylpropoxy)propan-1-ol

$$$$ Data

M. F.

C7H16O2

Suppliers	Catalog Number
Enamine	EN300-92923

Database	Data ID
PubChem	118605

M. W.

132.20074

CAS

Similarity

N/A

ID: 283889

4-[(2-methylpyrimidin-4-yl)oxy]aniline

$$$$ Data

M. F.

C11H11N3O

Suppliers	Catalog Number
Enamine	EN300-92924

Database	Data ID
PubChem	57833249

M. W.

201.22454

CAS

Similarity

N/A

ID: 283890

1H-pyrrol-2-ylmethanamine

$$$$ Data

M. F.

C5H8N2

Suppliers	Catalog Number
Enamine	EN300-92925
A&J Pharmtech	AJA-O6639

Database	Data ID
PubChem	10996966

M. W.

96.13042

CAS

64608-72-6

Similarity

N/A

ID: 283891

methyl 2-amino-2-(pyridin-2-yl)acetate hydrochloride

$$$$ Data

M. F.

C8H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-92929

Database	Data ID
PubChem	54595785

M. W.

202.63814

CAS

Similarity

N/A

ID: 283892

5-(1H-1,3-benzodiazol-2-yl)quinoline

$$$$ Data

M. F.

C16H11N3

Suppliers	Catalog Number
Enamine	EN300-92930

Database	Data ID
PubChem	54595786

M. W.

245.27864

CAS

Similarity

N/A

ID: 283893

2-(3-chlorophenyl)-1λ⁶,2-thiazolidine-1,1-dione

$$$$ Data

M. F.

C9H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-92931

Database	Data ID
PubChem	12544215

M. W.

231.6992

CAS

Similarity

N/A

ID: 283894

2-(3-cyanophenyl)-2-methylpropanoic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-92933

Database	Data ID
PubChem	22343997

M. W.

189.21054

CAS

Similarity

N/A

ID: 283895

1-(2-fluoro-5-methylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C11H9FN2O3

Suppliers	Catalog Number
Enamine	EN300-92934

Database	Data ID
PubChem	43133858

M. W.

236.1991632

CAS

Similarity

N/A

ID: 283896

1-(2,3-dimethylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Enamine	EN300-92935

Database	Data ID
PubChem	43133821

M. W.

232.23528

CAS

Similarity

N/A

ID: 283897

3-[(4-methylphenyl)sulfanyl]-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C9H9N3S2

Suppliers	Catalog Number
Enamine	EN300-92936

Database	Data ID
PubChem	49757415

M. W.

223.31786

CAS

Similarity

N/A

ID: 283898

({1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene}amino)urea

$$$$ Data

M. F.

C11H19N3O

Suppliers	Catalog Number
Enamine	EN300-92939

Database	Data ID
PubChem	9556170

M. W.

209.28806

CAS

Similarity

N/A

ID: 283899

sodium 3-acetamidobenzene-1-sulfonate

$$$$ Data

M. F.

C8H8NNaO4S

Suppliers	Catalog Number
Enamine	EN300-92959

Database	Data ID
PubChem	16640801

M. W.

237.20819

CAS

Similarity

N/A

ID: 283900

diphenyl(sulfanyl)-λ⁵-phosphanethione

$$$$ Data

M. F.

C12H11PS2

Suppliers	Catalog Number
Alfa Aesar	17758
Enamine	EN300-92964

Database	Data ID
PubChem	129564

M. W.

250.319501

CAS

1015-38-9

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