ChemSpider 2D Image | 1-(2-Fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide | C23H17FN6O

1-(2-Fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC23H17FN6O
  • Average mass412.419 Da
  • Monoisotopic mass412.144775 Da
  • ChemSpider ID30514243

More details:

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

1-(2-Fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-(2-Fluorophényl)-N-[3-(1H-pyrazol-5-yl)phényl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, 1-(2-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-5-(1H-pyrrol-1-yl)- [ACD/Index Name]
1-(2-FLUOROPHENYL)-N-[3-(2H-PYRAZOL-3-YL)PHENYL]-5-(PYRROL-1-YL)PYRAZOLE-4-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.6±31.5 °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: 4.21
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.90
ACD/KOC (pH 5.5): 1493.08
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 191.07
ACD/KOC (pH 7.4): 1494.38
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

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