Chembase list of 866358 unique molecular structures

4,6-dimethyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

$$$$ Data

M. F.

C8H9N3O

Suppliers	Catalog Number
Enamine	EN300-12773

M. W.

163.17656

CAS

28491-67-0

Similarity

N/A

ID: 247902

phenyl(4H-1,2,4-triazol-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C9H11ClN4

Suppliers	Catalog Number
Enamine	EN300-127730

M. W.

210.66344

CAS

Similarity

N/A

ID: 247903

(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride

$$$$ Data

M. F.

C3H8ClN5

Suppliers	Catalog Number
Enamine	EN300-127731

M. W.

149.58212

CAS

Similarity

N/A

ID: 247904

4-amino-2,6-dichlorobenzene-1-sulfonamide

$$$$ Data

M. F.

C6H6Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-127732

M. W.

241.09504

CAS

Similarity

N/A

ID: 247905

1-(4-amino-3-methylpiperidin-1-yl)propan-1-one hydrochloride

$$$$ Data

M. F.

C9H19ClN2O

Suppliers	Catalog Number
Enamine	EN300-127733

M. W.

206.71296

CAS

Similarity

N/A

ID: 247906

N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine hydrochloride

$$$$ Data

M. F.

C8H16ClF3N2

Suppliers	Catalog Number
Enamine	EN300-127734

M. W.

232.6742496

CAS

Similarity

N/A

ID: 247907

5-(piperidine-1-sulfonyl)pyridine-2-thiol

$$$$ Data

M. F.

C10H14N2O2S2

Suppliers	Catalog Number
Enamine	EN300-12774

M. W.

258.36036

CAS

Similarity

N/A

ID: 247908

1-iodo-2-methylbutane

$$$$ Data

M. F.

C5H11I

Suppliers	Catalog Number
Enamine	EN300-127740

M. W.

198.04531

CAS

Similarity

N/A

ID: 247909

2-fluoro-3-methylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H6ClFO2S

Suppliers	Catalog Number
Enamine	EN300-127745

M. W.

208.6377432

CAS

Similarity

N/A

ID: 247910

4-chloro-3-(trifluoromethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C7H5ClF3NO2S

Suppliers	Catalog Number
Enamine	EN300-127748

M. W.

259.6333096

CAS

Similarity

N/A

ID: 247911

ethyl 2-amino-6,6-dioxo-4H,5H,7H-1,6λ⁶-thieno[2,3-c][1λ⁶...

$$$$ Data

M. F.

C10H13NO4S2

Suppliers	Catalog Number
Enamine	EN300-12775

M. W.

275.34452

CAS

Similarity

N/A

ID: 247912

2-chloro-1,3-benzothiazole-5-sulfonyl chloride

$$$$ Data

M. F.

C7H3Cl2NO2S2

Suppliers	Catalog Number
Enamine	EN300-127751

M. W.

268.14022

CAS

Similarity

N/A

ID: 247913

2-chloro-1,3-benzothiazole-4-sulfonyl chloride

$$$$ Data

M. F.

C7H3Cl2NO2S2

Suppliers	Catalog Number
Enamine	EN300-127752

M. W.

268.14022

CAS

Similarity

N/A

ID: 247914

2-chloro-1,3-benzothiazole-7-sulfonyl chloride

$$$$ Data

M. F.

C7H3Cl2NO2S2

Suppliers	Catalog Number
Enamine	EN300-127753

M. W.

268.14022

CAS

Similarity

N/A

ID: 247915

2-oxa-4-azabicyclo[3.2.0]heptan-3-one

$$$$ Data

M. F.

C5H7NO2

Suppliers	Catalog Number
Enamine	EN300-127754

M. W.

113.11458

CAS

Similarity

N/A

ID: 247916

2,3-dihydro-1-benzofuran-5-yl(4-methoxyphenyl)methanamine hydrochloride

$$$$ Data

M. F.

C16H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-127756

M. W.

291.77262

CAS

Similarity

N/A

ID: 247917

6-chloro-3-oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride

$$$$ Data

M. F.

C9H6Cl2O3S

Suppliers	Catalog Number
Enamine	EN300-127757

M. W.

265.11314

CAS

Similarity

N/A

ID: 247918

3-formyl-4-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C8H7ClO4S

Suppliers	Catalog Number
Enamine	EN300-127759

M. W.

234.65678

CAS

Similarity

N/A

ID: 247919

11-methyl-8-thia-4,5,6-triazatricyclo[7.4.0.0²,⁷]trideca-1...

$$$$ Data

M. F.

C10H11N3OS

Suppliers	Catalog Number
Enamine	EN300-12776

M. W.

221.27884

CAS

Similarity

N/A

ID: 247920

1-methyl-2,4-dioxo-2,4-dihydro-1H-3,1-benzoxazine-6-sulfonyl chloride

$$$$ Data

M. F.

C9H6ClNO5S

Suppliers	Catalog Number
Enamine	EN300-127760

M. W.

275.66564

CAS

Similarity

N/A

ID: 247921

1-methyl-2,4-dioxo-2,4-dihydro-1H-3,1-benzoxazine-6-sulfonamide

$$$$ Data

M. F.

C9H8N2O5S

Suppliers	Catalog Number
Enamine	EN300-127761

M. W.

256.23522

CAS

Similarity

N/A

ID: 247922

6-amino-5-chloro-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Enamine	EN300-127763

M. W.

181.61892

CAS

Similarity

N/A

ID: 247923

2-(4-methoxy-1H-indol-3-yl)acetonitrile

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Enamine	EN300-127765

M. W.

186.2099

CAS

Similarity

N/A

ID: 247924

3-methoxy-1-(5-methylfuran-2-yl)propan-1-amine

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Enamine	EN300-127769

M. W.

169.2209

CAS

Similarity

N/A

ID: 247925

(2Z)-3-(3-methylphenyl)-2-(thiophen-2-yl)prop-2-enoic acid

$$$$ Data

M. F.

C14H12O2S

Suppliers	Catalog Number
Enamine	EN300-12777

M. W.

244.30888

CAS

Similarity

N/A

ID: 247926

1-cyclopropyl-1,2,3,4-tetrahydropyrazine-2,3-dione

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Enamine	EN300-127770

M. W.

152.15062

CAS

Similarity

N/A

ID: 247927

1-(bromomethyl)-4-propylbenzene

$$$$ Data

M. F.

C10H13Br

Suppliers	Catalog Number
Enamine	EN300-127771

M. W.

213.11422

CAS

Similarity

N/A

ID: 247928

tert-butyl N-[1-(pyrrolidin-3-yl)ethyl]carbamate

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Enamine	EN300-127772

M. W.

214.30458

CAS

Similarity

N/A

ID: 247929

1-(5-fluoropyridin-2-yl)propan-1-one

$$$$ Data

M. F.

C8H8FNO

Suppliers	Catalog Number
Enamine	EN300-127773

M. W.

153.1536232

CAS

Similarity

N/A

ID: 247930

3-phenyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Enamine	EN300-127774

M. W.

146.14604

CAS

Similarity

N/A

ID: 247931

5,6-dichloro-3-nitropyridin-2-amine

$$$$ Data

M. F.

C5H3Cl2N3O2

Suppliers	Catalog Number
Enamine	EN300-127776

M. W.

208.00222

CAS

Similarity

N/A

ID: 247932

thiophen-2-ol

$$$$ Data

M. F.

C4H4OS

Suppliers	Catalog Number
Enamine	EN300-127777

M. W.

100.13896

CAS

Similarity

N/A

ID: 247933

4-ethyl-1-methylpyrrolidin-3-amine dihydrochloride

$$$$ Data

M. F.

C7H18Cl2N2

Suppliers	Catalog Number
Enamine	EN300-127778

M. W.

201.13722

CAS

Similarity

N/A

ID: 247934

methyl 3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate

$$$$ Data

M. F.

C22H22N2O2

Suppliers	Catalog Number
Enamine	EN300-127780

M. W.

346.42228

CAS

Similarity

N/A

ID: 247935

1-(5-bromo-2-hydroxyphenyl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C11H13BrO2

Suppliers	Catalog Number
Enamine	EN300-127782

M. W.

257.12372

CAS

Similarity

N/A

ID: 247936

7-bromo-1-benzofuran-5-carboxylic acid

$$$$ Data

M. F.

C9H5BrO3

Suppliers	Catalog Number
Enamine	EN300-127783

M. W.

241.0382

CAS

Similarity

N/A

ID: 247937

6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

$$$$ Data

M. F.

C6H6N2O3

Suppliers	Catalog Number
Enamine	EN300-127785

M. W.

154.12344

CAS

Similarity

N/A

ID: 247938

4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-127786

M. W.

178.23096

CAS

Similarity

N/A

ID: 247939

tert-butyl 4-(pyridazin-3-yl)piperazine-1-carboxylate

$$$$ Data

M. F.

C13H20N4O2

Suppliers	Catalog Number
Enamine	EN300-127787

M. W.

264.3235

CAS

Similarity

N/A

ID: 247940

4-{cyano[(trimethylsilyl)oxy]methyl}benzonitrile

$$$$ Data

M. F.

C12H14N2OSi

Suppliers	Catalog Number
Enamine	EN300-127788

M. W.

230.33786

CAS

Similarity

N/A

ID: 247941

6-bromo-8-chloroquinolin-2-amine

$$$$ Data

M. F.

C9H6BrClN2

Suppliers	Catalog Number
Enamine	EN300-127790

M. W.

257.51434

CAS

Similarity

N/A

ID: 247942

6-methoxyisoquinolin-7-ol

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-127791

M. W.

175.18396

CAS

Similarity

N/A

ID: 247943

5,6-dichloro-3H-imidazo[4,5-b]pyridine

$$$$ Data

M. F.

C6H3Cl2N3

Suppliers	Catalog Number
Enamine	EN300-127793

M. W.

188.01412

CAS

Similarity

N/A

ID: 247944

3,5-difluoro-4-(piperidin-1-yl)aniline

$$$$ Data

M. F.

C11H14F2N2

Suppliers	Catalog Number
Enamine	EN300-127794

M. W.

212.2390664

CAS

Similarity

N/A

ID: 247945

1-(3-bromopropyl)-3-methylbenzene

$$$$ Data

M. F.

C10H13Br

Suppliers	Catalog Number
Enamine	EN300-127795

M. W.

213.11422

CAS

Similarity

N/A

ID: 247946

2-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C9H6ClNO3S

Suppliers	Catalog Number
Enamine	EN300-127796

M. W.

243.66684

CAS

Similarity

N/A

ID: 247947

ethyl 3-(2-chloroacetamido)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C14H15ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-12780

M. W.

326.7985

CAS

Similarity

N/A

ID: 247948

2-(methoxycarbonyl)cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C8H12O4

Suppliers	Catalog Number
Enamine	EN300-127800

M. W.

172.17848

CAS

Similarity

N/A

ID: 247949

3-phenylbut-2-enenitrile

$$$$ Data

M. F.

C10H9N

Suppliers	Catalog Number
Enamine	EN300-127801

M. W.

143.18516

CAS

Similarity

N/A

ID: 247950

4-(4-fluorophenyl)azepane hydrochloride

$$$$ Data

M. F.

C12H17ClFN

Suppliers	Catalog Number
Enamine	EN300-127802

M. W.

229.7214832

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