ChemSpider 2D Image | 4-Bromo-N-[4-(diethylamino)phenyl]-5-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide | C22H24BrFN4O2

4-Bromo-N-[4-(diethylamino)phenyl]-5-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID67042521

More details:






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

1H-Pyrazole-3-carboxamide, 4-bromo-N-[4-(diethylamino)phenyl]-5-(4-fluorophenyl)-1-(2-hydroxyethyl)- [ACD/Index Name]
4-Brom-N-[4-(diethylamino)phenyl]-5-(4-fluorphenyl)-1-(2-hydroxyethyl)-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
4-Bromo-N-[4-(diethylamino)phenyl]-5-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
4-Bromo-N-[4-(diéthylamino)phényl]-5-(4-fluorophényl)-1-(2-hydroxyéthyl)-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.8±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 10.96
ACD/KOC (pH 5.5): 83.89
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 165.89
ACD/KOC (pH 7.4): 1269.63
Polar Surface Area: 70 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 340.3±7.0 cm3

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