(1,3-Bis(4-fluorophenyl)-1H-pyrazol-4-YL)methanol
Basic information
- CAS
618444-38-5- Standard SMILES
OCc1cn(-c2ccc(F)cc2)nc1-c1ccc(F)cc1- InChIKey
VNMZKFVRJLVRFG-UHFFFAOYSA-N- Molecular formula
- C16H12F2N2O
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09176933
Names & identifiers
- Preferred name
- (1,3-Bis(4-fluorophenyl)-1H-pyrazol-4-YL)methanol
- IUPAC
- [1,3-bis(4-fluorophenyl)pyrazol-4-yl]methanol
- English name
- (1,3-Bis(4-fluorophenyl)-1H-pyrazol-4-yl)methanol
- Molecular formula
- C16H12F2N2O
- Molecular weight
- 286.28
Names & synonyms
618444-38-5(1,3-BIS(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL)METHANOL[1,3-bis(4-fluorophenyl)pyrazol-4-yl]methanol[1,3-bis(4-fluorophenyl)-1H-pyrazol-4-yl]methanolDTXSID701249414AKOS024416494ST512379421,3-Bis(4-fluorophenyl)-1H-pyrazole-4-methanolSALOR-INT L450499-1EA1H-Pyrazole-4-methanol, 1,3-bis(4-fluorophenyl)-
Database identifiers
- CAS
618444-38-5- PubChem CID
- 3840451
- DTXSID
DTXSID701249414
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 451.8 · 451.8±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.72 · 13.72±0.10(Predicted)
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Compound notes
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