4-(1H)Indazole carboxylic acid methyl ester

C₉H₈N₂O₂CAS 192945-49-6176.18 g/mol

Open in Covalent MOL file

Ester

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

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

192945-49-6

SMILES

COC(=O)C1=C2C=NNC2=CC=C1

InChIKey

MEXWKIOTIDFYPN-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Methyl 1H-indazole-4-carboxylate

Work with 4-(1H)Indazole carboxylic acid methyl ester

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 1H-indole-4-carboxylate39830-66-560 % similar 1H-Indazole-4-carboxylic acid677306-38-657 % similar Methyl 1H-indazole-3-carboxylate43120-28-152 % similar Dimethyl phthalate131-11-351 % similar 4-Methoxy-1H-indazole351210-06-550 % similar Methyl 1H-indazole-5-carboxylate473416-12-550 % similar Methyl 2-chlorobenzoate610-96-848 % similar Methyl 2-chloronicotinate40134-18-747 % 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 Pemoline2152-34-3 4-Amino-N-methylphthalimide2307-00-8

Elsewhere

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