Basic information
- CAS
169547-93-7- Standard SMILES
Cc1cc(CO)nn1-c1ccc(C(F)(F)F)cc1- InChIKey
KWEOSIMCJQQMMW-UHFFFAOYSA-N- Molecular formula
- C12H11F3N2O
- Average molar mass
- 256.22 g/mol
- Monoisotopic mass
- 256.08234746
Names & identifiers
- Preferred name
- {5-Methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl}methanol
- IUPAC
- [5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
Names & synonyms
{5-Methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl}methanolSCHEMBL16210657DTXSID7011833975-Methyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-methanol{5-Methyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}methanol169547-93-7
Database identifiers
- CAS
169547-93-7- PubChem CID
- 82088932
- DTXSID
DTXSID701183397
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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