Basic information
- Standard SMILES
Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CC#N- InChIKey
BDYYUELIHHZDAU-UHFFFAOYSA-N- Molecular formula
- C13H10F3N3O
- Average molar mass
- 281.23 g/mol
- Monoisotopic mass
- 281.07759644
Names & identifiers
- Preferred name
- [2-methyl-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetonitrile
- IUPAC
- 2-[1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]acetonitrile
Names & synonyms
[2-methyl-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetonitrileSCHEMBL2425009
Database identifiers
- PubChem CID
- 67402912
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
4 records
Compound notes
Loading…