ChemSpider 2D Image | N-[3-Fluoro-4-({7-[(1-hydroxy-2-methyl-2-propanyl)oxy]-4-quinolinyl}oxy)phenyl]-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | C31H29FN4O5

N-[3-Fluoro-4-({7-[(1-hydroxy-2-methyl-2-propanyl)oxy]-4-quinolinyl}oxy)phenyl]-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

  • Molecular FormulaC31H29FN4O5
  • Average mass556.584 Da
  • Monoisotopic mass556.212219 Da
  • ChemSpider ID61719567

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-4-carboxamide, N-[3-fluoro-4-[[7-(2-hydroxy-1,1-dimethylethoxy)-4-quinolinyl]oxy]phenyl]-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl- [ACD/Index Name]
N-[3-Fluor-4-({7-[(1-hydroxy-2-methyl-2-propanyl)oxy]-4-chinolinyl}oxy)phenyl]-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[3-Fluoro-4-({7-[(1-hydroxy-2-méthyl-2-propanyl)oxy]-4-quinoléinyl}oxy)phényl]-1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[3-Fluoro-4-({7-[(1-hydroxy-2-methyl-2-propanyl)oxy]-4-quinolinyl}oxy)phenyl]-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 314.10
ACD/KOC (pH 5.5): 1934.61
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 440.51
ACD/KOC (pH 7.4): 2713.23
Polar Surface Area: 104 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site


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