Basic information
- CAS
174858-58-3- Standard SMILES
CCCCc1cc(NC(=O)c2ccccc2C(F)(F)F)n2nccc2n1- InChIKey
UIWRXWVBYPEKOZ-UHFFFAOYSA-N- Molecular formula
- C18H17F3N4O
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.13544566
Names & identifiers
- Preferred name
- N-(5-Butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)benzamide
- IUPAC
- N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)benzamide
Names & synonyms
174858-58-3N-(5-Butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)benzamideN-{5-BUTYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL}-2-(TRIFLUOROMETHYL)BENZAMIDESCHEMBL7844914DTXSID60599384UIWRXWVBYPEKOZ-UHFFFAOYSA-NL014036
Database identifiers
- CAS
174858-58-3- PubChem CID
- 19709727
- DTXSID
DTXSID60599384
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…