Basic information
- Standard SMILES
O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)c(OCC(F)(F)F)c3)nc12- InChIKey
RLCJALGFIKBBNK-UHFFFAOYSA-N- Molecular formula
- C17H8F9N3O3
- Average molar mass
- 473.25 g/mol
- Monoisotopic mass
- 473.04219458
Names & identifiers
- Preferred name
- 5-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- IUPAC
- 5-[3-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Names & synonyms
5-[3-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acidSCHEMBL3119285-[3-(2,2,2-trifluoroethoxy)-4-trifluoromethyl-phenyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Database identifiers
- PubChem CID
- 86607115
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 685
Related reactions
16 records
Compound notes
Loading…