Methyl 1H-indazole-5-carboxylate

C₉H₈N₂O₂CAS 473416-12-5176.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈N₂O₂
Molar mass: 176.18 g/mol
Exact mass: 176.0586 Da
logP: 1.35Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

473416-12-5

SMILES

COC(=O)C1=CC2=C(C=C1)NN=C2

InChIKey

LPLOEZPPYOSNEW-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-8-7(4-6)5-10-11-8/h2-5H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

5-(1H)Indazole carboxylic acid methyl ester

Work with Methyl 1H-indazole-5-carboxylate

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

Methyl indole-5-carboxylate1011-65-060 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-360 % similar Methyl 3-iodoindazole-5-carboxylate885271-25-057 % similar Dimethyl terephthalate120-61-655 % similar Methyl 2-naphthoate2459-25-854 % similar Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-254 % similar Indole-6-carboxylic acid methyl ester50820-65-052 % similar 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester849067-96-551 % similar

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

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook