Chembase list of 866358 unique molecular structures

1-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C11H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-127262

M. W.

236.65436

CAS

Similarity

N/A

ID: 247652

2-(tert-butylsulfanyl)-5-nitrobenzoic acid

$$$$ Data

M. F.

C11H13NO4S

Suppliers	Catalog Number
Enamine	EN300-127263

M. W.

255.29022

CAS

Similarity

N/A

ID: 247653

2-(butan-2-ylsulfanyl)-5-nitrobenzoic acid

$$$$ Data

M. F.

C11H13NO4S

Suppliers	Catalog Number
Enamine	EN300-127264

M. W.

255.29022

CAS

Similarity

N/A

ID: 247654

2-(cyclohexylsulfanyl)-5-nitrobenzoic acid

$$$$ Data

M. F.

C13H15NO4S

Suppliers	Catalog Number
Enamine	EN300-127265

M. W.

281.3275

CAS

Similarity

N/A

ID: 247655

2-(butylsulfanyl)-5-nitrobenzoic acid

$$$$ Data

M. F.

C11H13NO4S

Suppliers	Catalog Number
Enamine	EN300-127266

M. W.

255.29022

CAS

Similarity

N/A

ID: 247656

6-(methylamino)-5-nitropyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H7N3O4

Suppliers	Catalog Number
Enamine	EN300-127268

M. W.

197.14818

CAS

Similarity

N/A

ID: 247657

1-(2-fluorophenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C9H7FN2OS

Suppliers	Catalog Number
Enamine	EN300-12727

M. W.

210.2280832

CAS

Similarity

N/A

ID: 247658

(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C7H14Cl2N4

Suppliers	Catalog Number
Enamine	EN300-127270

M. W.

225.11886

CAS

Similarity

N/A

ID: 247659

1-{[2-(benzylsulfanyl)phenyl]methyl}-1H-1,2,4-triazole hydrochloride

$$$$ Data

M. F.

C16H16ClN3S

Suppliers	Catalog Number
Enamine	EN300-127271

M. W.

317.83634

CAS

Similarity

N/A

ID: 247660

2-(3,4,5-trifluorophenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C8H9ClF3N

Suppliers	Catalog Number
Enamine	EN300-127273

M. W.

211.6119696

CAS

Similarity

N/A

ID: 247661

6-amino-5-nitropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H5N3O4

Suppliers	Catalog Number
Enamine	EN300-127274

M. W.

183.1216

CAS

Similarity

N/A

ID: 247662

2-(1,2-oxazol-4-yl)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C9H6ClNO3S

Suppliers	Catalog Number
Enamine	EN300-127275

M. W.

243.66684

CAS

Similarity

N/A

ID: 247663

5-bromo-8-methyl-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C10H12BrN

Suppliers	Catalog Number
Enamine	EN300-127277

M. W.

226.11298

CAS

Similarity

N/A

ID: 247664

6-ethylisoquinoline

$$$$ Data

M. F.

C11H11N

Suppliers	Catalog Number
Enamine	EN300-127279

M. W.

157.21174

CAS

Similarity

N/A

ID: 247665

1-(3-methylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C10H10N2OS

Suppliers	Catalog Number
Enamine	EN300-12728

M. W.

206.2642

CAS

Similarity

N/A

ID: 247666

1-(3-methoxyphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-12729

M. W.

222.2636

CAS

Similarity

N/A

ID: 247667

3-fluoroazepane hydrochloride

$$$$ Data

M. F.

C6H13ClFN

Suppliers	Catalog Number
Enamine	EN300-127298

M. W.

153.6255232

CAS

Similarity

N/A

ID: 247668

1-(3-chlorophenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C9H7ClN2OS

Suppliers	Catalog Number
Enamine	EN300-12730

M. W.

226.68268

CAS

Similarity

N/A

ID: 247669

4-hydrazinyl-1λ⁶-thiane-1,1-dione hydrochloride

$$$$ Data

M. F.

C5H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-127301

M. W.

200.68692

CAS

Similarity

N/A

ID: 247670

6-amino-4-methyl-1H-2,3-benzoxazin-1-one

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Enamine	EN300-127302

M. W.

176.17202

CAS

Similarity

N/A

ID: 247671

methyl 2-[(2-phenylethyl)amino]acetate

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Enamine	EN300-127305

M. W.

193.2423

CAS

Similarity

N/A

ID: 247672

methyl 4-chloropentanoate

$$$$ Data

M. F.

C6H11ClO2

Suppliers	Catalog Number
Enamine	EN300-127306

M. W.

150.60334

CAS

Similarity

N/A

ID: 247673

1,4,8-trioxaspiro[4.5]decan-2-ylmethanamine

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-127307

M. W.

173.2096

CAS

Similarity

N/A

ID: 247674

4-chloro-2-ethyl-6-nitroquinoline

$$$$ Data

M. F.

C11H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-127308

M. W.

236.65436

CAS

Similarity

N/A

ID: 247675

3-bromo-1-(3,4-dichlorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H8BrCl2NO

Suppliers	Catalog Number
Enamine	EN300-127309

M. W.

308.98662

CAS

Similarity

N/A

ID: 247676

2-sulfanyl-1-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C10H7F3N2OS

Suppliers	Catalog Number
Enamine	EN300-12731

M. W.

260.2355896

CAS

Similarity

N/A

ID: 247677

methyl 3-hydrazinylbenzoate hydrochloride

$$$$ Data

M. F.

C8H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-127310

M. W.

202.63814

CAS

Similarity

N/A

ID: 247678

1,1,1-trifluoro-4,4-dimethylpentan-2-amine hydrochloride

$$$$ Data

M. F.

C7H15ClF3N

Suppliers	Catalog Number
Enamine	EN300-127311

M. W.

205.6489096

CAS

Similarity

N/A

ID: 247679

4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid

$$$$ Data

M. F.

C11H11ClO4

Suppliers	Catalog Number
Enamine	EN300-127312

M. W.

242.65564

CAS

Similarity

N/A

ID: 247680

1-[(benzyloxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H14FNO4

Suppliers	Catalog Number
Enamine	EN300-127314

M. W.

267.2529632

CAS

Similarity

N/A

ID: 247681

(1R)-1-(2-bromo-4-methoxyphenyl)ethan-1-ol

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Enamine	EN300-127317

M. W.

231.08644

CAS

Similarity

N/A

ID: 247682

chloromethyl 2-methylpropanoate

$$$$ Data

M. F.

C5H9ClO2

Suppliers	Catalog Number
Enamine	EN300-127318

M. W.

136.57676

CAS

Similarity

N/A

ID: 247683

1-(5-fluoropyridin-3-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C7H11Cl2FN2

Suppliers	Catalog Number
Enamine	EN300-127319

M. W.

213.0800432

CAS

Similarity

N/A

ID: 247684

1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C11H12N2OS

Suppliers	Catalog Number
Enamine	EN300-12732

M. W.

220.29078

CAS

Similarity

N/A

ID: 247685

3-ethyl-2-methylquinolin-4-ol

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Enamine	EN300-127321

M. W.

187.23772

CAS

Similarity

N/A

ID: 247686

tert-butyl N-{[(3-bromophenyl)carbamoyl]methyl}carbamate

$$$$ Data

M. F.

C13H17BrN2O3

Suppliers	Catalog Number
Enamine	EN300-127323

M. W.

329.18968

CAS

Similarity

N/A

ID: 247687

2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C6H7N3O2

Suppliers	Catalog Number
Enamine	EN300-127324

M. W.

153.13868

CAS

Similarity

N/A

ID: 247688

6-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,3,4,5-tetrahydropyridazin-3-one

$$$$ Data

M. F.

C8H10N4O2

Suppliers	Catalog Number
Enamine	EN300-127326

M. W.

194.1906

CAS

Similarity

N/A

ID: 247689

1-chloro-3-methylcyclopentane

$$$$ Data

M. F.

C6H11Cl

Suppliers	Catalog Number
Enamine	EN300-127327

M. W.

118.60454

CAS

Similarity

N/A

ID: 247690

1-[1-(2-methoxyethyl)piperidin-3-yl]ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C10H24Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-127329

M. W.

259.21636

CAS

Similarity

N/A

ID: 247691

1-(4-chlorophenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C9H7ClN2OS

Suppliers	Catalog Number
Enamine	EN300-12733

M. W.

226.68268

CAS

Similarity

N/A

ID: 247692

2-methylimidazo[1,2-a]pyrazine

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Enamine	EN300-127332

M. W.

133.15058

CAS

Similarity

N/A

ID: 247693

1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H10ClN3

Suppliers	Catalog Number
Enamine	EN300-127339

M. W.

207.6595

CAS

Similarity

N/A

ID: 247694

2-sulfanyl-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C10H7F3N2O2S

Suppliers	Catalog Number
Enamine	EN300-12734

M. W.

276.2349896

CAS

Similarity

N/A

ID: 247695

1-(chloromethyl)-4-methyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

$$$$ Data

M. F.

C11H9ClN4O

Suppliers	Catalog Number
Enamine	EN300-12735

M. W.

248.66836

CAS

Similarity

N/A

ID: 247696

4-{[4-(trifluoromethoxy)phenyl]methyl}piperidin-4-ol hydrochloride

$$$$ Data

M. F.

C13H17ClF3NO2

Suppliers	Catalog Number
Enamine	EN300-127351

M. W.

311.7277896

CAS

Similarity

N/A

ID: 247697

1-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine hydrochloride

$$$$ Data

M. F.

C10H11ClF3N

Suppliers	Catalog Number
Enamine	EN300-127352

M. W.

237.6492496

CAS

Similarity

N/A

ID: 247698

7-methylquinoline-8-sulfonyl chloride

$$$$ Data

M. F.

C10H8ClNO2S

Suppliers	Catalog Number
Enamine	EN300-127353

M. W.

241.69402

CAS

Similarity

N/A

ID: 247699

4-(aminomethyl)-N-cyclopropylpyridin-2-amine

$$$$ Data

M. F.

C9H13N3

Suppliers	Catalog Number
Enamine	EN300-127354

M. W.

163.21962

CAS

Similarity

N/A

ID: 247700

(4-bromophenyl)(2-fluorophenyl)methanone

$$$$ Data

M. F.

C13H8BrFO

Suppliers	Catalog Number
Enamine	EN300-127355

M. W.

279.1044232

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