Basic information
- CAS
98533-98-3- Standard SMILES
O=C(NC1CC1)c1cnn(-c2ccccc2)c1Cl- InChIKey
BYCFVKYBTNMWPC-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0668897
Names & identifiers
- Preferred name
- 5-chloro-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
- IUPAC
- 5-chloro-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
Names & synonyms
5-chloro-N-cyclopropyl-1-phenylpyrazole-4-carboxamide98533-98-3SCHEMBL10366981DTXSID902436665-chloro-N-cyclopropyl-1-phenyl-1H-pyrazole-4-carboxamide
Database identifiers
- CAS
98533-98-3- PubChem CID
- 179077
- DTXSID
DTXSID90243666
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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