ChemSpider 2D Image | 1-(3,5-Difluorophenyl)-N-{4-[(3-oxo-1-piperazinyl)carbonyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide | C25H20F2N6O3

1-(3,5-Difluorophenyl)-N-{4-[(3-oxo-1-piperazinyl)carbonyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC25H20F2N6O3
  • Average mass490.461 Da
  • Monoisotopic mass490.156494 Da
  • ChemSpider ID67880905

More details:

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

1-(3,5-Difluorophenyl)-N-{4-[(3-oxo-1-piperazinyl)carbonyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-(3,5-Difluorophényl)-N-{4-[(3-oxo-1-pipérazinyl)carbonyl]phényl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(3,5-Difluorphenyl)-N-{4-[(3-oxo-1-piperazinyl)carbonyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, 1-(3,5-difluorophenyl)-N-[4-[(3-oxo-1-piperazinyl)carbonyl]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: 1.5±0.1 g/cm3
Boiling Point: 700.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.1±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 90.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 89.96
Polar Surface Area: 101 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

Click to predict properties on the Chemicalize site


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