1-(4-Cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-indazole-3-carboxamide

C₂₂H₂₄N₄OCAS 1631074-54-8360.46 g/mol

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Properties

Molecular formula: C₂₂H₂₄N₄O
Molar mass: 360.46 g/mol
Exact mass: 360.1950 Da
logP: 4.40Crippen estimate
Polar surface area: 70.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Identifiers

CAS number

1631074-54-8

SMILES

CC(C)(NC(=O)c1nn(CCCCC#N)c2ccccc12)c1ccccc1

InChIKey

JGTSOWOPISVAHG-UHFFFAOYSA-N

InChI

InChI=1S/C22H24N4O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,16H2,1-2H3,(H,24,27)

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Names and synonyms

1 names

1H-Indazole-3-carboxamide, 1-(4-cyanobutyl)-N-(1-methyl-1-phenylethyl)-

Work with 1-(4-Cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-indazole-3-carboxamide

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

Elsewhere

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