ChemSpider 2D Image | 1-[3-(Trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C12H7F3N4O

1-[3-(Trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC12H7F3N4O
  • Average mass280.205 Da
  • Monoisotopic mass280.057190 Da
  • ChemSpider ID21716654

More details:

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

1-[3-(Trifluormethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
1-[3-(Trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
1-[3-(Trifluorométhyl)phényl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
949654-67-5 [RN]
MFCD09802114 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 461.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.6±28.7 °C
Index of Refraction: 1.649
Molar Refractivity: 64.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.57
ACD/KOC (pH 5.5): 161.97
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.71
ACD/KOC (pH 7.4): 145.65
Polar Surface Area: 59 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 176.6±7.0 cm3

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