ChemSpider 2D Image | 1-(Cyclopropyl{[5-(2-fluorophenoxy)-3-isopropyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-isobutoxy-2-propanol | C29H38FN3O3

1-(Cyclopropyl{[5-(2-fluorophenoxy)-3-isopropyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-isobutoxy-2-propanol

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID22693497

More details:

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

1-(Cyclopropyl{[5-(2-fluorophenoxy)-3-isopropyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-isobutoxy-2-propanol [ACD/IUPAC Name]
1-(Cyclopropyl{[5-(2-fluorophénoxy)-3-isopropyl-1-phényl-1H-pyrazol-4-yl]méthyl}amino)-3-isobutoxy-2-propanol [French] [ACD/IUPAC Name]
1-(Cyclopropyl{[5-(2-fluorphenoxy)-3-isopropyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-isobutoxy-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-[cyclopropyl[[5-(2-fluorophenoxy)-3-(1-methylethyl)-1-phenyl-1H-pyrazol-4-yl]methyl]amino]-3-(2-methylpropoxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.5±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 2325.34
ACD/KOC (pH 5.5): 6020.23
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9003.83
ACD/KOC (pH 7.4): 23310.56
Polar Surface Area: 60 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 420.8±7.0 cm3

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