Basic information
- CAS
477762-87-1- Standard SMILES
CCCc1ccc(-c2ccc(-c3c(-c4ccc(Cl)cc4)cnn3C(=O)c3cccc(C(F)(F)F)c3)cc2)c(F)c1- InChIKey
VZFCTMAXJXFMNJ-UHFFFAOYSA-N- Molecular formula
- C32H23ClF4N2O
- Average molar mass
- 563 g/mol
Names & identifiers
- Preferred name
- [4-(4-chlorophenyl)-5-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-1H-pyrazol-1-yl][3-(trifluoromethyl)phenyl]methanone
- IUPAC
- [4-(4-chlorophenyl)-5-[4-(2-fluoro-4-propylphenyl)phenyl]pyrazol-1-yl]-[3-(trifluoromethyl)phenyl]methanone
- English name
- [4-(4-Chlorophenyl)-5-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-1H-pyrazol-1-yl][3-(trifluoromethyl)phenyl]methanone
- Molecular formula
- C32H23ClF4N2O
- Molecular weight
- 562.98
Names & synonyms
477762-87-1[4-(4-chlorophenyl)-5-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-1H-pyrazol-1-yl][3-(trifluoromethyl)phenyl]methanone[4-(4-chlorophenyl)-5-[4-(2-fluoro-4-propylphenyl)phenyl]pyrazol-1-yl]-[3-(trifluoromethyl)phenyl]methanone4-(4-chlorophenyl)-5-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}-1-[3-(trifluoromethyl)benzoyl]-1H-pyrazoleAKOS0051045229P-952(4-(4-Chlorophenyl)-5-(2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)-1H-pyrazol-1-yl)(3-(trifluoromethyl)phenyl)methanoneMethanone, [4-(4-chlorophenyl)-5-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-1H-pyrazol-1-yl][3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
477762-87-1
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 826
Physicochemical properties
- Boiling point
- 642.8 · 642.8±65.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -3.66 · -3.66±0.12(Predicted)
Chemistry & industry
Suppliers2 total
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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