5-Chloro-1,3-dimethyl-n-phenyl-1h-pyrazole-4-carboxamide

HCID 73028

Notes Reactions

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Basic information

CAS: 64174-45-4
Standard SMILES: Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1
InChIKey: ZAJFIKDZSWZHFU-UHFFFAOYSA-N
Molecular formula: C12H12ClN3O
Average molar mass: 249.69 g/mol
Monoisotopic mass: 249.0668897

Names & identifiers

Preferred name: 5-Chloro-1,3-dimethyl-n-phenyl-1h-pyrazole-4-carboxamide
IUPAC: 5-chloro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

Names & synonyms

5-chloro-1,3-dimethyl-n-phenyl-1h-pyrazole-4-carboxamide64174-45-4TNCTZ4OPYZ5-chloro-1,3-dimethyl-N-phenylpyrazole-4-carboxamideNSC378646NSC 3786461H-Pyrazole-4-carboxamide, 5-chloro-1,3-dimethyl-N-phenyl-NSC-378646MFCD04124271UNII-TNCTZ4OPYZSCHEMBL11419852DTXSID90214371

Show more names

ZAJFIKDZSWZHFU-UHFFFAOYSA-NAKOS01599184911F-428S5-chloro-1,3-dimethyl-N-phenyl-4-pyrazolecarboxamide5-chloro-1,3-dimethyl-N-phenyl-pyrazole-4-carboxamide

Database identifiers

CAS: 64174-45-4
PubChem CID: 73028
DTXSID: DTXSID90214371
UNII: TNCTZ4OPYZ

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 46.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 281

Related reactions

2 records

New reaction record

HRID 282751As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2163523As reactantuspto-grants-1979_01

Compound notes

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