chempirical

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

C9H8N2O3CAS 90417-53-1192.17 g/mol

Open in Covalent MOL file
ONHNOHO
Carboxylic acidEther

Properties

Molecular formula
C9H8N2O3
Molar mass
192.17 g/mol
Exact mass
192.0535 Da
logP
1.27Crippen estimate
Polar surface area
75.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
90417-53-1
SMILES
COC1=CC2=C(C=C1)NN=C2C(=O)O
InChIKey
RSERHJPLECECPR-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O3/c1-14-5-2-3-7-6(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-Methoxy-3-indazolecarboxylic acid

Work with 5-Methoxy-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-Methyl-1H-indazole-3-carboxylic acid1201-24-766 % similar 5-Bromo-1H-indazole-3-carboxylic acid1077-94-763 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-962 % similar Indazole-3-carboxylic acid4498-67-357 % similar 5-Methoxy-1H-indole-3-carboxylic acid10242-01-057 % similar 5-Nitroindazole-3-carboxylic acid78155-76-755 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-153 % similar 6-Methoxy-1H-indole-3-carboxylic acid90924-43-952 % similar

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

Same formula

6-Hydroxy-7-methoxy-4(3H)-quinazolinone179688-52-9 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione2420-17-9 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-8 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione54832-24-5

Elsewhere

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