1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-5-cyano-N-methyl-
Basic information
- CAS
98476-01-8- Standard SMILES
CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C#N- InChIKey
GXMVCIBGYNJHSW-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O
- Average molar mass
- 260.68 g/mol
- Monoisotopic mass
- 260.0464886
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-5-cyano-N-methyl-
- IUPAC
- 1-(4-chlorophenyl)-5-cyano-N-methylpyrazole-4-carboxamide
Names & synonyms
1-(4-Chlorophenyl)-5-cyano-N-methyl-1H-pyrazole-4-carboxamide98476-01-81H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-5-cyano-N-methyl-DTXSID1073735RefChem:239982DTXCID0049070SCHEMBL10368222
Database identifiers
- CAS
98476-01-8- PubChem CID
- 163671
- DTXSID
DTXSID1073735
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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