3-(4-Chlorophenyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide

HCID 6862018

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Basic information

CAS: 307321-80-8
Standard SMILES: O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIKey: ZMNRTLFLUPZWRF-VXLYETTFSA-N
Molecular formula: C16H12ClN5O
Average molar mass: 325.75 g/mol
Monoisotopic mass: 325.0730377

Names & identifiers

Preferred name: 3-(4-Chlorophenyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
IUPAC: 3-(4-chlorophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

Names & synonyms

3-(4-CHLOROPHENYL)-N'-(2-PYRIDINYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDESTK107871AKOS0016011793-(4-chlorophenyl)-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazideST021955(E)-3-(4-chlorophenyl)-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazideN-((1E)-2-(2-pyridyl)-1-azavinyl)[3-(4-chlorophenyl)pyrazol-5-yl]carboxamide

Database identifiers

CAS: 307321-80-8
PubChem CID: 6862018
EC Number: 140-919-5

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 83 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 425

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