chempirical

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

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)

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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-Fluoro-1H-indazole-3-carboxylic acid1077-96-965 % similar Indazole-3-carboxylic acid4498-67-361 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-853 % similar 5-Methylindole-2-carboxylic acid10241-97-149 % similar 4-Methylphthalic acid4316-23-846 % similar 2-Chloro-5-methylbenzoic acid6342-60-545 % similar 4-Bromo-1H-indazole-3-carboxylic acid885521-80-244 % 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 Imidazo[1,2-A]pyridine-3-acetic acid17745-04-9 Pemoline2152-34-3 N-(4-Cyanophenyl)glycine42288-26-6 2-Methyl-5-nitroindole7570-47-0 Phenylhydantoin89-24-7 8-Hydroxy-2-methyl-4(3H)-quinazolinone90417-38-2

Elsewhere

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