Basic information
- Standard SMILES
Fc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4cccnc4)c3n2)cc1Cl- InChIKey
WRENBPXGSDFKRD-UHFFFAOYSA-N- Molecular formula
- C18H9ClF4N4
- Average molar mass
- 392.7 g/mol
- Monoisotopic mass
- 392.0451866
Names & identifiers
- Preferred name
- 5-(3-Chloro-4-fluoro-phenyl)-3-pyridin-3-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine
- IUPAC
- 5-(3-chloro-4-fluorophenyl)-3-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Names & synonyms
5-(3-Chloro-4-fluoro-phenyl)-3-pyridin-3-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidineSCHEMBL1924378
Database identifiers
- PubChem CID
- 67213149
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
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