Basic information
- Standard SMILES
FC(F)(F)c1cccc(-c2cc(C(F)(F)F)n3nccc3n2)c1- InChIKey
MQFRMDBASRVTAJ-UHFFFAOYSA-N- Molecular formula
- C14H7F6N3
- Average molar mass
- 331.22 g/mol
Names & identifiers
- Preferred name
- 5-(3-Trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine
- IUPAC
- 7-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
Names & synonyms
5-(3-trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidineSCHEMBL1346620
Database identifiers
- PubChem CID
- 86607997
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
9 records
Compound notes
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