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

1-(2-Fluorophenyl)-5-methyl-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H16FN7O2
  • Average mass429.406 Da
  • Monoisotopic mass429.134949 Da
  • ChemSpider ID33389288

More details:

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

1-(2-Fluorophenyl)-5-methyl-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-(2-Fluorophényl)-5-méthyl-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phényl]-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-5-methyl-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, N-[2-(4,5-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-(2-fluorophenyl)-5-methyl- [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: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.745
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.81
ACD/KOC (pH 5.5): 273.32
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.55
ACD/KOC (pH 7.4): 254.08
Polar Surface Area: 106 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 285.6±7.0 cm3

Click to predict properties on the Chemicalize site


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