ChemSpider 2D Image | 1-(4-Fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide | C23H17FN6O

1-(4-Fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC23H17FN6O
  • Average mass412.419 Da
  • Monoisotopic mass412.144775 Da
  • ChemSpider ID31780473

More details:

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

1-(4-Fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-(4-Fluorophényl)-N-[4-(1H-imidazol-2-yl)phényl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, 1-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]-5-(1H-pyrrol-1-yl)- [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: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.704
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 37.36
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 91.28
ACD/KOC (pH 7.4): 799.98
Polar Surface Area: 81 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 300.6±7.0 cm3

Click to predict properties on the Chemicalize site


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