ChemSpider 2D Image | 1-[{[5-(2,4-Difluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-5-hexen-2-ol | C26H31F2N3O2

1-[{[5-(2,4-Difluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-5-hexen-2-ol

  • Molecular FormulaC26H31F2N3O2
  • Average mass455.540 Da
  • Monoisotopic mass455.238434 Da
  • ChemSpider ID22696724

More details:






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

1-[{[5-(2,4-Difluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-5-hexen-2-ol [ACD/IUPAC Name]
1-[{[5-(2,4-Difluorophénoxy)-1-méthyl-3-phényl-1H-pyrazol-4-yl]méthyl}(propyl)amino]-5-hexén-2-ol [French] [ACD/IUPAC Name]
1-[{[5-(2,4-Difluorphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-5-hexen-2-ol [German] [ACD/IUPAC Name]
5-Hexen-2-ol, 1-[[[5-(2,4-difluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl]propylamino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 127.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 529.79
ACD/KOC (pH 5.5): 1216.45
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 10697.46
ACD/KOC (pH 7.4): 24562.15
Polar Surface Area: 51 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 398.5±7.0 cm3

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