5-(3,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid 2-[(4-ethylphenyl)methylene]hydrazide

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Basic information

CAS: 1038563-15-3
Standard SMILES: CCc1ccc(C=NNC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)cc1
InChIKey: AJESBHKNZNVEGO-UHFFFAOYSA-N
Molecular formula: C21H22N4O
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.17936134

Names & identifiers

Preferred name: 5-(3,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid 2-[(4-ethylphenyl)methylene]hydrazide
IUPAC: 3-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Names & synonyms

DTXSID7011224245-(3,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid 2-[(4-ethylphenyl)methylene]hydrazide1038563-15-35-(3,4-Dimethylphenyl)-N'-[(4-ethylphenyl)methylidene]-1H-pyrazole-3-carbohydrazide

Database identifiers

CAS: 1038563-15-3
PubChem CID: 3940393
DTXSID: DTXSID701122424

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 486

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