Basic information
- Standard SMILES
Cc1cc(O)ccc1-n1cc(C(F)(F)F)cn1- InChIKey
RGCDNOLOUVIMAS-UHFFFAOYSA-N- Molecular formula
- C11H9F3N2O
- Average molar mass
- 242.2 g/mol
- Monoisotopic mass
- 242.0666974
Names & identifiers
- Preferred name
- 3-methyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenol
- IUPAC
- 3-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
Names & synonyms
3-methyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenolSCHEMBL11900303AKOS014648729
Database identifiers
- PubChem CID
- 65313798
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
4 records
Compound notes
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