1-(4-Chlorophenyl)-N-(4-chloro-3-nitrophenyl)-5-methylpyrazole-4-carboxamide

HCID 22228091

Notes Reactions

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Basic information

Standard SMILES: Cc1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1
InChIKey: KVGOVRVUHILUSV-UHFFFAOYSA-N
Molecular formula: C17H12Cl2N4O3
Average molar mass: 391.2 g/mol

Names & identifiers

Preferred name: 1-(4-Chlorophenyl)-N-(4-chloro-3-nitrophenyl)-5-methylpyrazole-4-carboxamide
IUPAC: N-(4-chloro-3-nitrophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

Names & synonyms

SCHEMBL6052482KVGOVRVUHILUSV-UHFFFAOYSA-N1-(4-Chlorophenyl)-N-(4-chloro-3-nitrophenyl)-5-methylpyrazole-4-carboxamideN-(4-chloro-3-nitrophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

Database identifiers

PubChem CID: 22228091

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 92.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 525

Related reactions

4 records

New reaction record

HRID 102047As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 320379As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1744545As productuspto-grants-2006_03

HRID 1744634As reactantuspto-grants-2006_03

Compound notes

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