1-[(4-chlorophenyl)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide

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Basic information

CAS: 5761-84-2
Standard SMILES: COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c(OC)c1OC
InChIKey: IBCYZCTVHZYPQQ-FSJBWODESA-N
Molecular formula: C21H21ClN4O4
Average molar mass: 428.9 g/mol
Monoisotopic mass: 428.1251329

Names & identifiers

Preferred name: 1-[(4-chlorophenyl)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
IUPAC: 1-[(4-chlorophenyl)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide

Names & synonyms

5761-84-21-[(4-chlorophenyl)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamideAK-968/40307899DTXSID50416632AKOS0243481381-(4-chlorobenzyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-pyrazole-3-carbohydrazide1-[(4-Chlorophenyl)methyl]-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-pyrazole-3-carbohydrazide

Database identifiers

CAS: 5761-84-2
PubChem CID: 5336680
DTXSID: DTXSID50416632

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 87 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 573

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Compound notes

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