Basic information
- Standard SMILES
C#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12- InChIKey
YOJWGEUIJBTYCV-UHFFFAOYSA-N- Molecular formula
- C15H7ClF3N3
- Average molar mass
- 321.68 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chloro-phenyl)-3-ethynyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine
- IUPAC
- 5-(4-chlorophenyl)-3-ethynyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Names & synonyms
5-(4-Chloro-phenyl)-3-ethynyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidineSCHEMBL13479325-(4-chloro-phenyl)-3-ethynyl-7-trifluoromethyl pyrazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 86607995
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
39 records
Compound notes
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