5-Methyl-1H-indazole-3-carboxylic acid

C9H8N2O2CAS 1201-24-7176.17 g/mol

Open in Covalent MOL file
HNNOOH
Carboxylic acid

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
1.57Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1201-24-7
SMILES
CC1=CC2=C(C=C1)NN=C2C(=O)O
InChIKey
QRTAIBBOZNHRMI-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h2-4H,1H3,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • 5-Methylindazole-3-carboxylic acid

Work with 5-Methyl-1H-indazole-3-carboxylic acid

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

5-Bromo-1H-indazole-3-carboxylic acid1077-94-767 % similar 5-Methoxy-1H-indazole-3-carboxylic acid90417-53-166 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-965 % similar Indazole-3-carboxylic acid4498-67-361 % similar 5-Nitroindazole-3-carboxylic acid78155-76-758 % similar 6-Bromo-1H-indazole-3-carboxylic acid660823-36-953 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-853 % similar 5-Methylindole-2-carboxylic acid10241-97-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3 4-Amino-N-methylphthalimide2307-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook