Chembase list of 866358 unique molecular structures

tert-butyl N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)carbamate

$$$$ Data

M. F.

C15H20F3NO3

Suppliers	Catalog Number
Enamine	EN300-76132

Database	Data ID
PubChem	54593065

M. W.

319.3194096

CAS

Similarity

N/A

ID: 274202

2-(2,2-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide

$$$$ Data

M. F.

C8H17N3O2

Suppliers	Catalog Number
Enamine	EN300-76134

Database	Data ID
PubChem	43592863

M. W.

187.23948

CAS

Similarity

N/A

ID: 274203

2-(1H-1,2,4-triazol-1-yl)pyridine-4-carbonitrile

$$$$ Data

M. F.

C8H5N5

Suppliers	Catalog Number
Enamine	EN300-76135

Database	Data ID
PubChem	24692982

M. W.

171.1588

CAS

Similarity

N/A

ID: 274204

2-(4-methoxyphenyl)-2-(methylamino)ethan-1-ol

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Enamine	EN300-76136

Database	Data ID
PubChem	54593066

M. W.

181.2316

CAS

Similarity

N/A

ID: 274205

1-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Enamine	EN300-76137

Database	Data ID
PubChem	54593067

M. W.

173.17138

CAS

Similarity

N/A

ID: 274206

3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanamide

$$$$ Data

M. F.

C10H15N3O3

Suppliers	Catalog Number
Enamine	EN300-76138

Database	Data ID
PubChem	46797284

M. W.

225.2444

CAS

Similarity

N/A

ID: 274207

3-(4-bromo-1H-pyrazol-1-yl)pyridine

$$$$ Data

M. F.

C8H6BrN3

Suppliers	Catalog Number
Enamine	EN300-76139

Database	Data ID
PubChem	12661209

M. W.

224.05734

CAS

Similarity

N/A

ID: 274208

2-phenoxycyclohexan-1-amine hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
Enamine	EN300-76140

Database	Data ID
PubChem	54593068

M. W.

227.73042

CAS

Similarity

N/A

ID: 274209

2-(2-fluorophenoxy)cyclohexan-1-amine hydrochloride

$$$$ Data

M. F.

C12H17ClFNO

Suppliers	Catalog Number
Enamine	EN300-76141

Database	Data ID
PubChem	54593069

M. W.

245.7208832

CAS

Similarity

N/A

ID: 274210

tert-butyl 2-(2-aminophenyl)acetate

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
Enamine	EN300-76142

Database	Data ID
PubChem	13701369

M. W.

207.26888

CAS

Similarity

N/A

ID: 274211

[1-(pyridin-3-yl)-1H-pyrazol-4-yl]methanamine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Enamine	EN300-76143

Database	Data ID
PubChem	54593070

M. W.

174.2025

CAS

Similarity

N/A

ID: 274212

1-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C9H7N3O2

Suppliers	Catalog Number
Enamine	EN300-76145

Database	Data ID
PubChem	54593071

M. W.

189.17078

CAS

Similarity

N/A

ID: 274213

[1-(pyridin-3-yl)-1H-pyrazol-4-yl]methanol

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-76146

Database	Data ID
PubChem	54593072

M. W.

175.18726

CAS

Similarity

N/A

ID: 274214

1-(pyridin-3-yl)-1H-pyrazole-4-sulfonyl chloride

$$$$ Data

M. F.

C8H6ClN3O2S

Suppliers	Catalog Number
Enamine	EN300-76148

Database	Data ID
PubChem	54593073

M. W.

243.67014

CAS

Similarity

N/A

ID: 274215

3-(1H-pyrazol-1-yl)pyridine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
Enamine	EN300-76149

Database	Data ID
PubChem	11378567

M. W.

145.16128

CAS

Similarity

N/A

ID: 274216

1-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide

$$$$ Data

M. F.

C8H8N4O2S

Suppliers	Catalog Number
Enamine	EN300-76150

Database	Data ID
PubChem	54593074

M. W.

224.23972

CAS

Similarity

N/A

ID: 274217

3-(4-iodo-1H-pyrazol-1-yl)pyridine

$$$$ Data

M. F.

C8H6IN3

Suppliers	Catalog Number
Enamine	EN300-76152

Database	Data ID
PubChem	54593075

M. W.

271.05781

CAS

Similarity

N/A

ID: 274218

1-(6-ethylpyrimidin-4-yl)piperidin-3-amine

$$$$ Data

M. F.

C11H18N4

Suppliers	Catalog Number
Enamine	EN300-76156

Database	Data ID
PubChem	54593076

M. W.

206.28742

CAS

Similarity

N/A

ID: 274219

1-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidin-3-amine

$$$$ Data

M. F.

C13H21N5O

Suppliers	Catalog Number
Enamine	EN300-76157

Database	Data ID
PubChem	54593077

M. W.

263.33874

CAS

Similarity

N/A

ID: 274220

3-fluoro-4-(quinolin-4-yloxy)aniline

$$$$ Data

M. F.

C15H11FN2O

Suppliers	Catalog Number
Enamine	EN300-76159

Database	Data ID
PubChem	52170535

M. W.

254.2590432

CAS

Similarity

N/A

ID: 274221

2-amino-2,3-dihydro-1H-indene-1,4-diol

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Enamine	EN300-76160

Database	Data ID
PubChem	54593078

M. W.

165.18914

CAS

Similarity

N/A

ID: 274222

1-[(2-chloropyridin-3-yl)sulfonyl]-4-methylpiperazine

$$$$ Data

M. F.

C10H14ClN3O2S

Suppliers	Catalog Number
Enamine	EN300-76162

Database	Data ID
PubChem	12286954

M. W.

275.75506

CAS

Similarity

N/A

ID: 274223

2-amino-2,3-dihydro-1H-inden-4-ol

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-76163

Database	Data ID
PubChem	13808882

M. W.

149.18974

CAS

Similarity

N/A

ID: 274224

3-(1,1-dioxo-1λ⁶-thiolan-2-yl)pyridin-1-ium-1-olate

$$$$ Data

M. F.

C9H11NO3S

Suppliers	Catalog Number
Enamine	EN300-76169

Database	Data ID
PubChem	54593079

M. W.

213.25354

CAS

Similarity

N/A

ID: 274225

3-(thiolan-2-yl)pyridine

$$$$ Data

M. F.

C9H11NS

Suppliers	Catalog Number
Enamine	EN300-76170

Database	Data ID
PubChem	13043955

M. W.

165.25534

CAS

Similarity

N/A

ID: 274226

2-(piperidin-3-yl)-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C9H17NO2S

Suppliers	Catalog Number
Enamine	EN300-76171

Database	Data ID
PubChem	54593080

M. W.

203.30178

CAS

Similarity

N/A

ID: 274227

2-(piperidin-4-yl)-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C9H17NO2S

Suppliers	Catalog Number
Enamine	EN300-76172

Database	Data ID
PubChem	54593081

M. W.

203.30178

CAS

Similarity

N/A

ID: 274228

4-(thiolan-2-yl)pyridine

$$$$ Data

M. F.

C9H11NS

Suppliers	Catalog Number
Enamine	EN300-76173

Database	Data ID
PubChem	13720666

M. W.

165.25534

CAS

Similarity

N/A

ID: 274229

4-(1,1-dioxo-1λ⁶-thiolan-2-yl)pyridin-1-ium-1-olate

$$$$ Data

M. F.

C9H11NO3S

Suppliers	Catalog Number
Enamine	EN300-76174

Database	Data ID
PubChem	54593082

M. W.

213.25354

CAS

Similarity

N/A

ID: 274230

4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C12H11ClN2O5S

Suppliers	Catalog Number
Enamine	EN300-76178

Database	Data ID
PubChem	28522338

M. W.

330.74414

CAS

Similarity

N/A

ID: 274231

2-bromo-4,6-dimethylpyrimidine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Enamine	EN300-76181
Bide Pharmatech	BD71730

Database	Data ID
PubChem	12758425

M. W.

187.03718

CAS

16879-39-3

Similarity

N/A

ID: 274232

2,3-dimethylbutanoic acid

$$$$ Data

M. F.

C6H12O2

Suppliers	Catalog Number
Enamine	EN300-76184

Database	Data ID
PubChem	26608

M. W.

116.15828

CAS

Similarity

N/A

ID: 274233

3-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

$$$$ Data

M. F.

C8H9ClN4O2S

Suppliers	Catalog Number
Enamine	EN300-76186

Database	Data ID
PubChem	43407959

M. W.

260.70066

CAS

Similarity

N/A

ID: 274234

1-bromo-2,4-dimethylcyclohexane

$$$$ Data

M. F.

C8H15Br

Suppliers	Catalog Number
Enamine	EN300-76193

Database	Data ID
PubChem	44557995

M. W.

191.1087

CAS

Similarity

N/A

ID: 274235

(1-methyl-2-phenylpyrrolidin-3-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N2

Suppliers	Catalog Number
Enamine	EN300-76199

Database	Data ID
PubChem	54593083

M. W.

263.2066

CAS

Similarity

N/A

ID: 274236

4-(1-amino-2-methylpropan-2-yl)-1λ⁴,4-thiomorpholin-1-one dihydrochl...

$$$$ Data

M. F.

C8H20Cl2N2OS

Suppliers	Catalog Number
Enamine	EN300-76200

Database	Data ID
PubChem	54593085

M. W.

263.2282

CAS

Similarity

N/A

ID: 274237

2-(1-hydroxycycloheptyl)acetic acid

$$$$ Data

M. F.

C9H16O3

Suppliers	Catalog Number
Enamine	EN300-76201

Database	Data ID
PubChem	54593086

M. W.

172.22154

CAS

Similarity

N/A

ID: 274238

N-(cyclopropylmethyl)-2-[2-(hydroxymethyl)phenoxy]acetamide

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
Enamine	EN300-76202

Database	Data ID
PubChem	28562603

M. W.

235.27898

CAS

Similarity

N/A

ID: 274239

3-(aminomethyl)-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Enamine	EN300-76203

Database	Data ID
PubChem	52190599

M. W.

164.20438

CAS

Similarity

N/A

ID: 274240

2-(2-aminoethanesulfonyl)-2-methylpropane hydrochloride

$$$$ Data

M. F.

C6H16ClNO2S

Suppliers	Catalog Number
Enamine	EN300-76204

Database	Data ID
PubChem	54593087

M. W.

201.71474

CAS

Similarity

N/A

ID: 274241

2-methanesulfonyl-2-methylpropanoic acid

$$$$ Data

M. F.

C5H10O4S

Suppliers	Catalog Number
Enamine	EN300-76205

Database	Data ID
PubChem	213240

M. W.

166.1955

CAS

Similarity

N/A

ID: 274242

2-(3-formylphenoxy)acetic acid

$$$$ Data

M. F.

C9H8O4

Suppliers	Catalog Number
Enamine	EN300-76206

Database	Data ID
PubChem	601895

M. W.

180.15742

CAS

Similarity

N/A

ID: 274243

cyclopropylmethanesulfonamide

$$$$ Data

M. F.

C4H9NO2S

Suppliers	Catalog Number
Enamine	EN300-76208

Database	Data ID
PubChem	22149151

M. W.

135.18476

CAS

Similarity

N/A

ID: 274244

2-[(3-aminopropyl)sulfanyl]-1,3-thiazole

$$$$ Data

M. F.

C6H10N2S2

Suppliers	Catalog Number
Enamine	EN300-76209

Database	Data ID
PubChem	12923406

M. W.

174.287

CAS

Similarity

N/A

ID: 274245

4,4,4-trifluoro-1-(2-fluorophenyl)butane-1,3-dione

$$$$ Data

M. F.

C10H6F4O2

Suppliers	Catalog Number
Enamine	EN300-76210

Database	Data ID
PubChem	43186919

M. W.

234.1470528

CAS

Similarity

N/A

ID: 274246

1-methyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Enamine	EN300-76212

Database	Data ID
PubChem	21846784

M. W.

136.19428

CAS

Similarity

N/A

ID: 274247

5-methyl-2-(pyrrolidin-1-yl)benzonitrile

$$$$ Data

M. F.

C12H14N2

Suppliers	Catalog Number
Enamine	EN300-76213

Database	Data ID
PubChem	52908372

M. W.

186.25296

CAS

Similarity

N/A

ID: 274248

2-(pyrrolidin-1-yl)-5-(trifluoromethyl)benzamide

$$$$ Data

M. F.

C12H13F3N2O

Suppliers	Catalog Number
Enamine	EN300-76214

Database	Data ID
PubChem	54593088

M. W.

258.2396296

CAS

Similarity

N/A

ID: 274249

[1-(ethanesulfonyl)propan-2-yl](methyl)amine hydrochloride

$$$$ Data

M. F.

C6H16ClNO2S

Suppliers	Catalog Number
Enamine	EN300-76215

Database	Data ID
PubChem	54593089

M. W.

201.71474

CAS

Similarity

N/A

ID: 274250

1-amino-2-cyclopentylpropan-2-ol

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Enamine	EN300-76216

Database	Data ID
PubChem	54593091

M. W.

143.22668

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