1-Methyl-1H-indazole-3-carboxaldehyde

C₉H₈N₂OCAS 4002-83-9160.18 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₉H₈N₂O
Molar mass: 160.18 g/mol
Exact mass: 160.0637 Da
Melting point: 47–48 °C
logP: 1.39Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4002-83-9

SMILES

Cn1nc(C=O)c2ccccc21

InChIKey

KYDLGYCLCFKUHY-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O/c1-11-9-5-3-2-4-7(9)8(6-12)10-11/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1H-Indazole-3-carboxaldehyde, 1-methyl-
3-Formyl-1-methylindazole
1-Methyl-1H-indazole-3-carbaldehyde

Work with 1-Methyl-1H-indazole-3-carboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methylindazole-3-carboxylic acid50890-83-049 % similar 1-Methylindole-3-carboxaldehyde19012-03-445 % similar 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-944 % similar 1-Methyl-2-phenyl-1H-indole-3-carboxaldehyde1757-72-840 % similar 1-Methyl-1H-pyrazole-5-carboxaldehyde27258-33-938 % similar 9,10-Anthracenedicarboxaldehyde7044-91-938 % similar 1-Acetylindole-3-carboxaldehyde22948-94-337 % similar N-Methylcarbazole1484-12-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(1H-Imidazol-1-yl)phenol10041-02-8 4-(Oxazol-5-yl)aniline1008-95-3 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-7 1-Methyl-2-formylbenzimidazole3012-80-4 N-(4-Cyanophenyl)acetamide35704-19-9 2-Amino-4-hydroxyquinoline42712-64-1 5-Amino-3-phenylisoxazole4369-55-5 2-Amino-8-hydroxyquinoline70125-16-5

Elsewhere

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