Chembase list of 866358 unique molecular structures

5-methyl-1-(pentan-3-yl)-1H-pyrazol-3-amine hydrochloride

$$$$ Data

M. F.

C9H18ClN3

Suppliers	Catalog Number
Enamine	EN300-127091

M. W.

203.71232

CAS

Similarity

N/A

ID: 247552

2-amino-3-fluorobenzene-1-sulfonamide

$$$$ Data

M. F.

C6H7FN2O2S

Suppliers	Catalog Number
Enamine	EN300-127092

M. W.

190.1953832

CAS

Similarity

N/A

ID: 247553

3-({1-[(tert-butoxy)carbonyl]azetidin-3-yl}oxy)propanoic acid

$$$$ Data

M. F.

C11H19NO5

Suppliers	Catalog Number
Enamine	EN300-127093

M. W.

245.27226

CAS

Similarity

N/A

ID: 247554

1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H9Cl2N3

Suppliers	Catalog Number
Enamine	EN300-127094

M. W.

242.10456

CAS

Similarity

N/A

ID: 247555

N-{8-azabicyclo[3.2.1]octan-3-yl}-N-methylbenzamide hydrochloride

$$$$ Data

M. F.

C15H21ClN2O

Suppliers	Catalog Number
Enamine	EN300-127095

M. W.

280.79304

CAS

Similarity

N/A

ID: 247556

3,3,5,5-tetramethylcyclohexan-1-amine

$$$$ Data

M. F.

C10H21N

Suppliers	Catalog Number
ChemBridge	4011193
Enamine	EN300-127096
A&J Pharmtech	AJA-O2073

M. W.

155.28044

CAS

32939-18-7

Similarity

N/A

ID: 247557

7-bromo-5-fluoro-1,2,3,4-tetrahydroquinoline hydrochloride

$$$$ Data

M. F.

C9H10BrClFN

Suppliers	Catalog Number
Enamine	EN300-127097

M. W.

266.5378032

CAS

Similarity

N/A

ID: 247558

7-fluoro-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

$$$$ Data

M. F.

C10H13ClFNO

Suppliers	Catalog Number
Enamine	EN300-127098

M. W.

217.6677232

CAS

Similarity

N/A

ID: 247559

1-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H9Cl2N3

Suppliers	Catalog Number
Enamine	EN300-127099

M. W.

242.10456

CAS

Similarity

N/A

ID: 247560

2-{[3-cyano-5-(ethoxycarbonyl)-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]s...

$$$$ Data

M. F.

C16H16N2O5S

Suppliers	Catalog Number
Enamine	EN300-12710

M. W.

348.37364

CAS

Similarity

N/A

ID: 247561

1-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H10FN3

Suppliers	Catalog Number
Enamine	EN300-127100

M. W.

191.2049032

CAS

Similarity

N/A

ID: 247562

5-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C12H10N2O4

Suppliers	Catalog Number
Enamine	EN300-127101

M. W.

246.2188

CAS

Similarity

N/A

ID: 247563

2-(6-chloro-3-methylpyridin-2-yl)acetic acid

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Enamine	EN300-127102

M. W.

185.60762

CAS

Similarity

N/A

ID: 247564

1-methyl-2-nitro-1H-imidazole-5-carboxylic acid

$$$$ Data

M. F.

C5H5N3O4

Suppliers	Catalog Number
Enamine	EN300-127103

M. W.

171.1109

CAS

Similarity

N/A

ID: 247565

2-(azetidin-1-yl)-5-bromopyridine

$$$$ Data

M. F.

C8H9BrN2

Suppliers	Catalog Number
Enamine	EN300-127104

M. W.

213.07446

CAS

Similarity

N/A

ID: 247566

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

$$$$ Data

M. F.

C11H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-127105

M. W.

236.65436

CAS

Similarity

N/A

ID: 247567

6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one

$$$$ Data

M. F.

C12H10BrNO

Suppliers	Catalog Number
ChemBridge	5130428
Enamine	EN300-127106

M. W.

264.1179

CAS

59514-18-0

Similarity

N/A

ID: 247568

2-methyl-1H,2H,3H,4H-pyrido[3,4-b]pyrazin-3-one hydrochloride

$$$$ Data

M. F.

C8H10ClN3O

Suppliers	Catalog Number
Enamine	EN300-127109

M. W.

199.6375

CAS

Similarity

N/A

ID: 247569

(prop-2-en-1-yl)(thiophen-2-ylmethyl)amine

$$$$ Data

M. F.

C8H11NS

Suppliers	Catalog Number
Enamine	EN300-12711

M. W.

153.24464

CAS

Similarity

N/A

ID: 247570

2-(2-methylpropyl)oxan-4-amine

$$$$ Data

M. F.

C9H19NO

Suppliers	Catalog Number
Enamine	EN300-127110

M. W.

157.25326

CAS

Similarity

N/A

ID: 247571

[2-(cyclopentyloxy)-5-methylphenyl]boronic acid

$$$$ Data

M. F.

C12H17BO3

Suppliers	Catalog Number
Enamine	EN300-127111

M. W.

220.07258

CAS

Similarity

N/A

ID: 247572

4-(tert-butoxy)-2-cyano-2-methyl-4-oxobutanoic acid

$$$$ Data

M. F.

C10H15NO4

Suppliers	Catalog Number
Enamine	EN300-127112

M. W.

213.2304

CAS

Similarity

N/A

ID: 247573

2-[(4-bromophenyl)methyl]-3-hydroxypropanenitrile

$$$$ Data

M. F.

C10H10BrNO

Suppliers	Catalog Number
Enamine	EN300-127113

M. W.

240.0965

CAS

Similarity

N/A

ID: 247574

4-(4-chlorophenyl)-2,3-dihydro-1,3-oxazol-2-one

$$$$ Data

M. F.

C9H6ClNO2

Suppliers	Catalog Number
Enamine	EN300-127115

M. W.

195.60244

CAS

Similarity

N/A

ID: 247575

2-(1H-1,2,4-triazol-1-ylmethyl)benzene-1-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C9H9Cl2N3O2S

Suppliers	Catalog Number
Enamine	EN300-127116

M. W.

294.15766

CAS

Similarity

N/A

ID: 247576

2-(aminomethyl)-3-methyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C10H11N3O

Suppliers	Catalog Number
Enamine	EN300-127118

M. W.

189.21384

CAS

Similarity

N/A

ID: 247577

3-(3-methylphenyl)-1,2,4-oxadiazole-5-thiol

$$$$ Data

M. F.

C9H8N2OS

Suppliers	Catalog Number
Enamine	EN300-127119

M. W.

192.23762

CAS

Similarity

N/A

ID: 247578

1-[(3,4-dimethoxyphenyl)methyl]piperazine

$$$$ Data

M. F.

C13H20N2O2

Suppliers	Catalog Number
Enamine	EN300-12712

M. W.

236.3101

CAS

32231-07-5

Similarity

N/A

ID: 247579

tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-6-yl)carbamate

$$$$ Data

M. F.

C14H21N3O2

Suppliers	Catalog Number
Enamine	EN300-127120

M. W.

263.33544

CAS

Similarity

N/A

ID: 247580

(1-methoxypropan-2-yl)hydrazine hydrochloride

$$$$ Data

M. F.

C4H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-127123

M. W.

140.61182

CAS

Similarity

N/A

ID: 247581

3-methoxycyclobutan-1-ol

$$$$ Data

M. F.

C5H10O2

Suppliers	Catalog Number
Enamine	EN300-127124

M. W.

102.1317

CAS

Similarity

N/A

ID: 247582

2-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine

$$$$ Data

M. F.

C12H14F3N

Suppliers	Catalog Number
Enamine	EN300-127125

M. W.

229.2414696

CAS

Similarity

N/A

ID: 247583

1-bromocyclobutane-1-carboxamide

$$$$ Data

M. F.

C5H8BrNO

Suppliers	Catalog Number
Enamine	EN300-127126

M. W.

178.02712

CAS

Similarity

N/A

ID: 247584

1-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C7H5N3O2S

Suppliers	Catalog Number
Enamine	EN300-127127

M. W.

195.1985

CAS

Similarity

N/A

ID: 247585

1-(4-aminopyridin-3-yl)propan-1-one

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Enamine	EN300-127128

M. W.

150.1778

CAS

Similarity

N/A

ID: 247586

3-(2,5-dichlorobenzoyl)oxolane

$$$$ Data

M. F.

C11H10Cl2O2

Suppliers	Catalog Number
Enamine	EN300-127129

M. W.

245.1019

CAS

Similarity

N/A

ID: 247587

4-nitro-2-(prop-2-en-1-yl)phenol

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Enamine	EN300-12713

M. W.

179.17266

CAS

19182-96-8

Similarity

N/A

ID: 247588

(ethylsulfamoyl)amine

$$$$ Data

M. F.

C2H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-127130

M. W.

124.16212

CAS

Similarity

N/A

ID: 247589

2-[2-(methylsulfanyl)phenyl]acetic acid

$$$$ Data

M. F.

C9H10O2S

Suppliers	Catalog Number
Enamine	EN300-127131

M. W.

182.2395

CAS

Similarity

N/A

ID: 247590

2-(2-methanesulfonylphenyl)acetic acid

$$$$ Data

M. F.

C9H10O4S

Suppliers	Catalog Number
Enamine	EN300-127133
A&J Pharmtech	AJA-O19350

M. W.

214.2383

CAS

Similarity

N/A

ID: 247591

2-methyloxane-4-carbaldehyde

$$$$ Data

M. F.

C7H12O2

Suppliers	Catalog Number
Enamine	EN300-127134

M. W.

128.16898

CAS

Similarity

N/A

ID: 247592

3-methyloxane-3-carboxylic acid

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
Enamine	EN300-127138

M. W.

144.16838

CAS

Similarity

N/A

ID: 247593

sodium 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C13H12NNaO2S

Suppliers	Catalog Number
Enamine	EN300-12714

M. W.

269.29465

CAS

Similarity

N/A

ID: 247594

3-(benzyloxy)-2,2-dimethylcyclobutan-1-one

$$$$ Data

M. F.

C13H16O2

Suppliers	Catalog Number
Enamine	EN300-127143

M. W.

204.26494

CAS

Similarity

N/A

ID: 247595

methyl 4,5-difluoro-1H-indole-2-carboxylate

$$$$ Data

M. F.

C10H7F2NO2

Suppliers	Catalog Number
Enamine	EN300-127144

M. W.

211.1648864

CAS

Similarity

N/A

ID: 247596

3,5-dichloro-2-(chloromethyl)pyridine

$$$$ Data

M. F.

C6H4Cl3N

Suppliers	Catalog Number
Enamine	EN300-127145
A&J Pharmtech	AJA-O1106 AJA-O1921

M. W.

196.46166

CAS

1076197-56-2

Similarity

N/A

ID: 247597

3-(methoxycarbonyl)-1,2-oxazole-5-carboxylic acid

$$$$ Data

M. F.

C6H5NO5

Suppliers	Catalog Number
Enamine	EN300-127146

M. W.

171.1076

CAS

Similarity

N/A

ID: 247598

benzyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride

$$$$ Data

M. F.

C13H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-127148

M. W.

257.7564

CAS

Similarity

N/A

ID: 247599

1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol

$$$$ Data

M. F.

C10H12N4S

Suppliers	Catalog Number
Enamine	EN300-12715

M. W.

220.29408

CAS

Similarity

N/A

ID: 247600

3-(2,3-dihydro-1H-inden-5-yl)propanoic acid

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
Enamine	EN300-127150

M. W.

190.23836

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