Chembase list of 866358 unique molecular structures

1-methyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C5H4F3N3O2

Suppliers	Catalog Number
Enamine	EN300-90999

Database	Data ID
PubChem	71695482

M. W.

195.0993696

CAS

Similarity

N/A

ID: 282952

1-ethyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C6H6F3N3O2

Suppliers	Catalog Number
Enamine	EN300-91000

Database	Data ID
PubChem	71695481

M. W.

209.1259496

CAS

Similarity

N/A

ID: 282953

1-(2-methoxyethyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C7H8F3N3O3

Suppliers	Catalog Number
Enamine	EN300-91004

Database	Data ID
PubChem	71697106

M. W.

239.1519296

CAS

Similarity

N/A

ID: 282954

1-(propan-2-yl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C7H8F3N3O2

Suppliers	Catalog Number
Enamine	EN300-91005

Database	Data ID
PubChem	71695480

M. W.

223.1525296

CAS

Similarity

N/A

ID: 282955

1-cyclopropyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C7H6F3N3O2

Suppliers	Catalog Number
Enamine	EN300-91006

Database	Data ID
PubChem	71697247

M. W.

221.1366496

CAS

Similarity

N/A

ID: 282956

3-methyl-4-(trifluoromethyl)aniline

$$$$ Data

M. F.

C8H8F3N

Suppliers	Catalog Number
Enamine	EN300-91012

Database	Data ID
PubChem	11019374

M. W.

175.1510296

CAS

Similarity

N/A

ID: 282957

4,5-dimethoxy-2-(trifluoromethyl)aniline

$$$$ Data

M. F.

C9H10F3NO2

Suppliers	Catalog Number
Enamine	EN300-91013

Database	Data ID
PubChem	290796

M. W.

221.1764096

CAS

Similarity

N/A

ID: 282958

6-(trifluoromethyl)morpholine-2-carboxylic acid

$$$$ Data

M. F.

C6H8F3NO3

Suppliers	Catalog Number
Enamine	EN300-91014

Database	Data ID
PubChem	73994614

M. W.

199.1278296

CAS

Similarity

N/A

ID: 282959

(2R)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile

$$$$ Data

M. F.

C8H9N

Suppliers	Catalog Number
Enamine	EN300-91111

Database	Data ID
PubChem	240305

M. W.

119.16376

CAS

Similarity

N/A

ID: 282960

4-chloro-2,5,6-trimethylpyrimidine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
ChemBridge	4043116
Enamine	EN300-91134

Database	Data ID
PubChem	12600391

M. W.

156.61276

CAS

Similarity

N/A

ID: 282961

1-[1-(morpholin-4-yl)cyclopentyl]ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C11H24Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-91141

Database	Data ID
PubChem	54595571

M. W.

271.22706

CAS

Similarity

N/A

ID: 282962

1-(2,6-difluorophenyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C10H6F2N2O2

Suppliers	Catalog Number
Enamine	EN300-91144

Database	Data ID
PubChem	28974725

M. W.

224.1636464

CAS

Similarity

N/A

ID: 282963

1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C12H11F3O2

Suppliers	Catalog Number
Enamine	EN300-91145

Database	Data ID
PubChem	22406871

M. W.

244.2097496

CAS

Similarity

N/A

ID: 282964

2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
Enamine	EN300-91148

Database	Data ID
PubChem	54595573

M. W.

220.22458

CAS

Similarity

N/A

ID: 282965

3,4-diphenylbutanoic acid

$$$$ Data

M. F.

C16H16O2

Suppliers	Catalog Number
Enamine	EN300-91149

Database	Data ID
PubChem	12484125

M. W.

240.29704

CAS

Similarity

N/A

ID: 282966

1-{thieno[2,3-d]pyrimidin-4-yl}piperidine-3-carboxylic acid

$$$$ Data

M. F.

C12H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-91150

Database	Data ID
PubChem	3445367

M. W.

263.31552

CAS

Similarity

N/A

ID: 282967

2-{2-[(4-cyanophenyl)methanesulfonamido]acetamido}acetic acid

$$$$ Data

M. F.

C12H13N3O5S

Suppliers	Catalog Number
Enamine	EN300-91152

Database	Data ID
PubChem	43387978

M. W.

311.31372

CAS

Similarity

N/A

ID: 282968

2,4-dimethyl-6-oxo-1-{[(propan-2-yl)carbamoyl]methyl}-1,6-dihydropyridine-3-carb...

$$$$ Data

M. F.

C13H18N2O4

Suppliers	Catalog Number
Enamine	EN300-91154

Database	Data ID
PubChem	56828898

M. W.

266.29302

CAS

Similarity

N/A

ID: 282969

3-[(1,1-dioxo-1λ⁶,2-benzothiazol-3-yl)amino]butanoic acid

$$$$ Data

M. F.

C11H12N2O4S

Suppliers	Catalog Number
Enamine	EN300-91156

Database	Data ID
PubChem	43171975

M. W.

268.28898

CAS

Similarity

N/A

ID: 282970

1-(4-methylphenyl)-1H-1,3-benzodiazol-2-amine hydrochloride

$$$$ Data

M. F.

C14H14ClN3

Suppliers	Catalog Number
Enamine	EN300-91158

Database	Data ID
PubChem	54595574

M. W.

259.73406

CAS

Similarity

N/A

ID: 282971

3-amino-1-methylpyrrolidine-2,5-dione; trifluoroacetic acid

$$$$ Data

M. F.

C7H9F3N2O4

Suppliers	Catalog Number
Enamine	EN300-91159

Database	Data ID
PubChem	54595575

M. W.

242.1525696

CAS

Similarity

N/A

ID: 282972

6-ethyl-2-methylpyrimidin-4-amine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Enamine	EN300-91160
A&J Pharmtech	AJA-O21257

Database	Data ID
PubChem	256702

M. W.

137.18234

CAS

90008-43-8

Similarity

N/A

ID: 282973

2-[1-(2,4-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid

$$$$ Data

M. F.

C11H8Cl2N2O3

Suppliers	Catalog Number
Enamine	EN300-91164

Database	Data ID
PubChem	43133800

M. W.

287.09882

CAS

Similarity

N/A

ID: 282974

2-(4-methylpiperazin-1-yl)cyclopentan-1-ol

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
ChemBridge	4010902
Enamine	EN300-91167

Database	Data ID
PubChem	44827676

M. W.

184.2786

CAS

915921-53-8

Similarity

N/A

ID: 282975

1-[1-(4-bromophenyl)ethyl]piperazine

$$$$ Data

M. F.

C12H17BrN2

Suppliers	Catalog Number
Enamine	EN300-91168

Database	Data ID
PubChem	3647438

M. W.

269.18078

CAS

Similarity

N/A

ID: 282976

3-amino-N-(propan-2-yl)butanamide

$$$$ Data

M. F.

C7H16N2O

Suppliers	Catalog Number
Enamine	EN300-91170

Database	Data ID
PubChem	54595576

M. W.

144.21474

CAS

Similarity

N/A

ID: 282977

methyl 2-(4-methoxyphenyl)propanoate

$$$$ Data

M. F.

C11H14O3

Suppliers	Catalog Number
Enamine	EN300-91171

Database	Data ID
PubChem	12398855

M. W.

194.22706

CAS

Similarity

N/A

ID: 282978

(2,5-dichlorophenyl)(2,3-dihydro-1-benzofuran-5-yl)methanamine

$$$$ Data

M. F.

C15H13Cl2NO

Suppliers	Catalog Number
Enamine	EN300-91172

Database	Data ID
PubChem	43198388

M. W.

294.17582

CAS

Similarity

N/A

ID: 282979

2,2-dimethylbutanal

$$$$ Data

M. F.

C6H12O

Suppliers	Catalog Number
Enamine	EN300-91173

Database	Data ID
PubChem	137426

M. W.

100.15888

CAS

Similarity

N/A

ID: 282980

4-isocyanatooxane

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Enamine	EN300-91174
A&J Pharmtech	AJA-O17470

Database	Data ID
PubChem	51711953

M. W.

127.14116

CAS

Similarity

N/A

ID: 282981

1-bromo-3-(2,2-difluoroethoxy)benzene

$$$$ Data

M. F.

C8H7BrF2O

Suppliers	Catalog Number
Enamine	EN300-91175

Database	Data ID
PubChem	45158777

M. W.

237.0413864

CAS

Similarity

N/A

ID: 282982

2-(2,4-dichlorophenyl)oxirane

$$$$ Data

M. F.

C8H6Cl2O

Suppliers	Catalog Number
Enamine	EN300-91176

Database	Data ID
PubChem	114557

M. W.

189.03864

CAS

Similarity

N/A

ID: 282983

1-(oxolan-2-yl)butan-2-one

$$$$ Data

M. F.

C8H14O2

Suppliers	Catalog Number
Enamine	EN300-91178

Database	Data ID
PubChem	53475410

M. W.

142.19556

CAS

Similarity

N/A

ID: 282984

2-(chloromethyl)-5-methyl-1,3-oxazole

$$$$ Data

M. F.

C5H6ClNO

Suppliers	Catalog Number
Enamine	EN300-91180

Database	Data ID
PubChem	22081016

M. W.

131.56024

CAS

Similarity

N/A

ID: 282985

3-(1H-1,2,3,4-tetrazol-5-yl)propan-1-amine dihydrochloride

$$$$ Data

M. F.

C4H11Cl2N5

Suppliers	Catalog Number
Enamine	EN300-91181

Database	Data ID
PubChem	72149094

M. W.

200.06964

CAS

Similarity

N/A

ID: 282986

2-chloropropan-1-ol

$$$$ Data

M. F.

C3H7ClO

Suppliers	Catalog Number
Enamine	EN300-91182

Database	Data ID
PubChem	6566

M. W.

94.54008

CAS

Similarity

N/A

ID: 282987

7-chloro-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C8H5ClN2OS

Suppliers	Catalog Number
Enamine	EN300-91183

Database	Data ID
PubChem	12316142

M. W.

212.6561

CAS

Similarity

N/A

ID: 282988

5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C7H5N5O2

Suppliers	Catalog Number
Enamine	EN300-91185

Database	Data ID
PubChem	285129

M. W.

191.1469

CAS

Similarity

N/A

ID: 282989

2-amino-4,5-dimethyl-1-(quinolin-5-yl)-1H-pyrrole-3-carbonitrile

$$$$ Data

M. F.

C16H14N4

Suppliers	Catalog Number
Enamine	EN300-91186

Database	Data ID
PubChem	43336909

M. W.

262.30916

CAS

Similarity

N/A

ID: 282990

methyl 3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate

$$$$ Data

M. F.

C12H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-91187

Database	Data ID
PubChem	12047556

M. W.

267.7313

CAS

Similarity

N/A

ID: 282991

3-(2-methoxy-5-methylphenyl)-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C16H20N2O3

Suppliers	Catalog Number
Enamine	EN300-91188

Database	Data ID
PubChem	43145849

M. W.

288.3416

CAS

Similarity

N/A

ID: 282992

1-tert-butyl-3-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C14H14F2N2O2

Suppliers	Catalog Number
Enamine	EN300-91189

Database	Data ID
PubChem	43141358

M. W.

280.2699664

CAS

Similarity

N/A

ID: 282993

4-nitro-N-(pyridin-2-ylmethyl)aniline

$$$$ Data

M. F.

C12H11N3O2

Suppliers	Catalog Number
Enamine	EN300-91190

Database	Data ID
PubChem	21454463

M. W.

229.23464

CAS

Similarity

N/A

ID: 282994

1-tert-butyl-3-(2-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C16H20N2O3

Suppliers	Catalog Number
Enamine	EN300-91192

Database	Data ID
PubChem	43324391

M. W.

288.3416

CAS

Similarity

N/A

ID: 282995

(2S)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile

$$$$ Data

M. F.

C8H9N

Suppliers	Catalog Number
Enamine	EN300-91196

Database	Data ID
PubChem	253307

M. W.

119.16376

CAS

Similarity

N/A

ID: 282996

2-benzyl-2-azabicyclo[2.2.1]heptane-1-carbonitrile

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Enamine	EN300-91214

Database	Data ID
PubChem	43810990

M. W.

212.29024

CAS

Similarity

N/A

ID: 282997

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxymethyl)-1,3-thiazole-4-carbox...

$$$$ Data

M. F.

C15H15N3O2S2

Suppliers	Catalog Number
Enamine	EN300-91233

Database	Data ID
PubChem	27023612

M. W.

333.4285

CAS

Similarity

N/A

ID: 282998

3-aminobutan-2-one hydrochloride

$$$$ Data

M. F.

C4H10ClNO

Suppliers	Catalog Number
Enamine	EN300-91235

Database	Data ID
PubChem	12270069

M. W.

123.5813

CAS

Similarity

N/A

ID: 282999

methyl 3-amino-2-phenylpropanoate hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-91236

Database	Data ID
PubChem	42614489

M. W.

215.67666

CAS

Similarity

N/A

ID: 283000

1-{[methyl(propan-2-yl)carbamoyl]methyl}-1H-indole-4-carboxylic acid

$$$$ Data

M. F.

C15H18N2O3

Suppliers	Catalog Number
Enamine	EN300-91237

Database	Data ID
PubChem	43316616

M. W.

274.31502

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