Basic information
- CAS
98533-97-2- Standard SMILES
O=C(NC1CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1Cl- InChIKey
BOILGRNLDBOWRO-UHFFFAOYSA-N- Molecular formula
- C14H11ClF3N3O
- Average molar mass
- 329.7 g/mol
- Monoisotopic mass
- 329.0542742
Names & identifiers
- Preferred name
- 5-Chloro-N-cyclopropyl-1-(3-(trifluoromethyl)phenyl)pyrazole-4-carboxamide
- IUPAC
- 5-chloro-N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Names & synonyms
5-Chloro-N-cyclopropyl-1-(3-(trifluoromethyl)phenyl)pyrazole-4-carboxamide98533-97-2SCHEMBL10366939DTXSID30243665BOILGRNLDBOWRO-UHFFFAOYSA-N5-Chloro-N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
Database identifiers
- CAS
98533-97-2- PubChem CID
- 179076
- DTXSID
DTXSID30243665
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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