ChemSpider 2D Image | 1-[(4-Bromophenoxy)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1H-pyrazole-3-carboxamide | C22H24BrFN4O2

1-[(4-Bromophenoxy)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1H-pyrazole-3-carboxamide

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID76854347

More details:

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

1-[(4-Bromophenoxy)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
1-[(4-Bromophénoxy)méthyl]-N-[3-(diméthylamino)-1-(4-fluorophényl)propyl]-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
1-[(4-Bromphenoxy)methyl]-N-[3-(dimethylamino)-1-(4-fluorphenyl)propyl]-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxamide, 1-[(4-bromophenoxy)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 29.69
Polar Surface Area: 59 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 349.5±7.0 cm3

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