ChemSpider 2D Image | 1-(2-Fluorophenyl)-N-[3-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide | C22H16FN7O2

1-(2-Fluorophenyl)-N-[3-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H16FN7O2
  • Average mass429.406 Da
  • Monoisotopic mass429.134949 Da
  • ChemSpider ID70983206

More details:

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

1-(2-Fluorophenyl)-N-[3-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-(2-Fluorophényl)-N-[3-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phényl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-N-[3-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, N-[3-(1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl]-1-(2-fluorophenyl)-5-(1H-pyrrol-1-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.731
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.79
ACD/KOC (pH 5.5): 239.32
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.65
ACD/KOC (pH 7.4): 237.05
Polar Surface Area: 97 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 292.5±7.0 cm3

Click to predict properties on the Chemicalize site


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