Basic information
- Standard SMILES
CC(C)(C)c1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1- InChIKey
UATRMRPCVNIQQV-UHFFFAOYSA-N- Molecular formula
- C14H14F3N3O2
- Average molar mass
- 313.27 g/mol
- Monoisotopic mass
- 313.10381118
Names & identifiers
- Preferred name
- 5-(tert-Butyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
- IUPAC
- 5-tert-butyl-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
Names & synonyms
5-(tert-Butyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazoleSCHEMBL3278021
Database identifiers
- PubChem CID
- 18677147
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
1 records
Compound notes
Loading…