Basic information
- CAS
17605-85-5- Standard SMILES
Cc1cc(C)n(C(=O)c2ccccc2C(F)(F)F)n1- InChIKey
RGHYZNGWJINCAA-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2O
- Average molar mass
- 268.23 g/mol
- Monoisotopic mass
- 268.08234746
Names & identifiers
- Preferred name
- Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-
- IUPAC
- (3,5-dimethylpyrazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
Names & synonyms
Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-17605-85-5BRN 06731463,5-Dimethyl-1-(o-trifluoromethylbenzoyl)pyrazoleDTXSID20170072(3,5-Dimethyl-1H-pyrazol-1-yl)[2-(trifluoromethyl)phenyl]methanone
Database identifiers
- CAS
17605-85-5- PubChem CID
- 205202
- DTXSID
DTXSID20170072- Nikkaji
- J51.223K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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