Basic information
- Standard SMILES
OC1(C(F)(F)F)CC(c2ccccn2)=NN1- InChIKey
BNCCCOLCFPURQL-UHFFFAOYSA-N- Molecular formula
- C9H8F3N3O
- Average molar mass
- 231.17 g/mol
Names & identifiers
- Preferred name
- 3-(2-Pyridinyl)-5-(trifluoromethyl)-2-pyrazoline-5-ol
- IUPAC
- 3-pyridin-2-yl-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
Names & synonyms
SCHEMBL43118903-(2-Pyridinyl)-5-(trifluoromethyl)-2-pyrazoline-5-ol5-hydroxy-3-(pyridine-2-yl)-5-trifluoromethyl-4,5-dihydropyrazole
Database identifiers
- PubChem CID
- 68998293
- Nikkaji
- J1.108.398F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
2 records
Compound notes
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