Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30845

Database	Data ID
PubChem	20391322

M. W.

148.16192

CAS

705927-35-1

Similarity

N/A

ID: 87402

2-methyl-2H-indazol-4-ol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30846

Database	Data ID
PubChem	20675458

M. W.

148.16192

CAS

Similarity

N/A

ID: 87403

2-methyl-2H-indazol-5-ol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30847

Database	Data ID
PubChem	44119248

M. W.

148.16192

CAS

Similarity

N/A

ID: 87404

2-methyl-2H-indazol-6-ol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30848

Database	Data ID
PubChem	13946973

M. W.

148.16192

CAS

Similarity

N/A

ID: 87405

2-methyl-2H-indazol-7-ol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30849

Database	Data ID
PubChem	44119249

M. W.

148.16192

CAS

Similarity

N/A

ID: 87406

1-methyl-1H-indazole-4-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30850

Database	Data ID
PubChem	44119251

M. W.

157.17198

CAS

Similarity

N/A

ID: 87407

1-methyl-1H-indazole-5-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30851

Database	Data ID
PubChem	10583041

M. W.

157.17198

CAS

Similarity

N/A

ID: 87408

1-methyl-1H-indazole-6-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30852
Enamine	EN300-114547

Database	Data ID
PubChem	22615267

M. W.

157.17198

CAS

267413-29-6

Similarity

N/A

ID: 87409

1-methyl-1H-indazole-7-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30853

Database	Data ID
PubChem	44119252

M. W.

157.17198

CAS

Similarity

N/A

ID: 87410

2-methyl-2H-indazole-4-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30854

Database	Data ID
PubChem	44119254

M. W.

157.17198

CAS

Similarity

N/A

ID: 87411

2-methyl-2H-indazole-5-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30855

Database	Data ID
PubChem	44119258

M. W.

157.17198

CAS

Similarity

N/A

ID: 87412

2-methyl-2H-indazole-6-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30856

Database	Data ID
PubChem	44119259

M. W.

157.17198

CAS

Similarity

N/A

ID: 87413

2-methyl-2H-indazole-7-carbonitrile

$$$$ Data

M. F.

C9H7N3

Suppliers	Catalog Number
Apollo Scientific	OR30857

Database	Data ID
PubChem	44119260

M. W.

157.17198

CAS

Similarity

N/A

ID: 87414

1H-indazol-4-ylmethanol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30858
A&J Pharmtech	AJA-O37784

Database	Data ID
PubChem	22661249

M. W.

148.16192

CAS

709608-85-5

Similarity

N/A

ID: 87415

1H-indazol-6-ylmethanol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30859
Enamine	EN300-91253

Database	Data ID
PubChem	44119261

M. W.

148.16192

CAS

916902-55-1

Similarity

N/A

ID: 87416

1H-indazol-7-ylmethanol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30860
Enamine	EN300-85261

Database	Data ID
PubChem	44119262

M. W.

148.16192

CAS

Similarity

N/A

ID: 87417

(1-methyl-1H-indazol-4-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30861

Database	Data ID
PubChem	44119263

M. W.

162.1885

CAS

Similarity

N/A

ID: 87418

(1-methyl-1H-indazol-5-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30862

Database	Data ID
PubChem	44119264

M. W.

162.1885

CAS

Similarity

N/A

ID: 87419

(1-methyl-1H-indazol-6-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30863

Database	Data ID
PubChem	44119265

M. W.

162.1885

CAS

1092961-10-8

Similarity

N/A

ID: 87420

(1-methyl-1H-indazol-7-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30864

Database	Data ID
PubChem	44119266

M. W.

162.1885

CAS

Similarity

N/A

ID: 87421

(2-methyl-2H-indazol-4-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30865

Database	Data ID
PubChem	44119267

M. W.

162.1885

CAS

Similarity

N/A

ID: 87422

(2-methyl-2H-indazol-5-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30866

Database	Data ID
PubChem	44119268

M. W.

162.1885

CAS

Similarity

N/A

ID: 87423

(2-methyl-2H-indazol-6-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30867

Database	Data ID
PubChem	44119269

M. W.

162.1885

CAS

Similarity

N/A

ID: 87424

(2-methyl-2H-indazol-7-yl)methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30868

Database	Data ID
PubChem	44119270

M. W.

162.1885

CAS

Similarity

N/A

ID: 87425

1H-indazol-4-ylmethanamine

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Apollo Scientific	OR30869
Bide Pharmatech	BD168103
A&J Pharmtech	AJA-O20177

Database	Data ID
PubChem	44119277

M. W.

147.17716

CAS

944898-72-0

Similarity

N/A

ID: 87426

1H-indazol-7-ylmethanamine

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Apollo Scientific	OR30870
Bide Pharmatech	BD236443
A&J Pharmtech	AJA-O20176

Database	Data ID
PubChem	20358629

M. W.

147.17716

CAS

944904-20-5

Similarity

N/A

ID: 87427

(1-methyl-1H-indazol-4-yl)methanamine hydrochloride

$$$$ Data

M. F.

C9H12ClN3

Suppliers	Catalog Number
Apollo Scientific	OR30871

Database	Data ID
PubChem	71300048

M. W.

197.66468

CAS

Similarity

N/A

ID: 87428

(1-methyl-1H-indazol-5-yl)methanamine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30872

Database	Data ID
PubChem	23000156

M. W.

161.20374

CAS

Similarity

N/A

ID: 87429

(1-methyl-1H-indazol-6-yl)methanamine hydrochloride

$$$$ Data

M. F.

C9H12ClN3

Suppliers	Catalog Number
Apollo Scientific	OR30873

Database	Data ID
PubChem	53395550

M. W.

197.66468

CAS

Similarity

N/A

ID: 87430

(1-methyl-1H-indazol-7-yl)methanamine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30874

Database	Data ID
PubChem	44119281

M. W.

161.20374

CAS

Similarity

N/A

ID: 87431

(2-methyl-2H-indazol-4-yl)methanamine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30875

Database	Data ID
PubChem	44119282

M. W.

161.20374

CAS

Similarity

N/A

ID: 87432

(2-methyl-2H-indazol-5-yl)methanamine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30876

Database	Data ID
PubChem	44119283

M. W.

161.20374

CAS

Similarity

N/A

ID: 87433

N,N-dimethyl-4-nitrosoaniline

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Sigma Aldrich	D172405
Alfa Aesar	A18301
Apollo Scientific	OR30877

Database	Data ID
PubChem	8749

M. W.

150.1778

CAS

138-89-6

Similarity

N/A

ID: 87434

N,N-diethyl-4-nitrosoaniline

$$$$ Data More

M. F.

C10H14N2O

Suppliers	Catalog Number
Sigma Aldrich	134732
MP Biomedicals	02155927
Alfa Aesar	B22762

Database	Data ID
PubChem	67115

M. W.

178.23096

CAS

120-22-9

Similarity

N/A

ID: 87435

N,N-diethyl-3-methoxy-4-nitrosoaniline

$$$$ Data

M. F.

C11H16N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30879

Database	Data ID
PubChem	14549296

M. W.

208.25694

CAS

Similarity

N/A

ID: 87436

3-methoxy-N,N-dimethyl-4-nitrosoaniline

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30880

Database	Data ID
PubChem	344273

M. W.

180.20378

CAS

Similarity

N/A

ID: 87437

1-(3-methoxy-4-nitrosophenyl)piperidine

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30881

Database	Data ID
PubChem	44119293

M. W.

220.26764

CAS

Similarity

N/A

ID: 87438

(2-methyl-2H-indazol-6-yl)methanamine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30882

Database	Data ID
PubChem	44119220

M. W.

161.20374

CAS

Similarity

N/A

ID: 87439

(2-methyl-2H-indazol-7-yl)methanamine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30883

Database	Data ID
PubChem	44119221

M. W.

161.20374

CAS

Similarity

N/A

ID: 87440

1-(1H-indazol-6-yl)ethan-1-one

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR30886

Database	Data ID
PubChem	44119223

M. W.

160.17262

CAS

189559-85-1

Similarity

N/A

ID: 87441

1-(1-methyl-1H-indazol-4-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30888

Database	Data ID
PubChem	44119225

M. W.

174.1992

CAS

Similarity

N/A

ID: 87442

1-(1-methyl-1H-indazol-5-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30889

Database	Data ID
PubChem	39104011

M. W.

174.1992

CAS

Similarity

N/A

ID: 87443

4-(4-bromophenyl)pyridine-3-carbaldehyde

$$$$ Data

M. F.

C12H8BrNO

Suppliers	Catalog Number
Apollo Scientific	OR3089

Database	Data ID
PubChem	2735616

M. W.

262.10202

CAS

Similarity

N/A

ID: 87444

1-(1-methyl-1H-indazol-6-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30890

Database	Data ID
PubChem	44119226

M. W.

174.1992

CAS

Similarity

N/A

ID: 87445

1-(1-methyl-1H-indazol-7-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30891

Database	Data ID
PubChem	44119227

M. W.

174.1992

CAS

Similarity

N/A

ID: 87446

1-(2-methyl-2H-indazol-4-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30892

Database	Data ID
PubChem	44119228

M. W.

174.1992

CAS

Similarity

N/A

ID: 87447

1-(2-methyl-2H-indazol-5-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30893

Database	Data ID
PubChem	44119229

M. W.

174.1992

CAS

Similarity

N/A

ID: 87448

1-(2-methyl-2H-indazol-6-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30894

Database	Data ID
PubChem	44119230

M. W.

174.1992

CAS

Similarity

N/A

ID: 87449

1-(2-methyl-2H-indazol-7-yl)ethan-1-one

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30895

Database	Data ID
PubChem	44119233

M. W.

174.1992

CAS

Similarity

N/A

ID: 87450

1-(1H-indazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30896

Database	Data ID
PubChem	44119237

M. W.

161.20374

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