ChemSpider 2D Image | N-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C20H15ClF3N5

N-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC20H15ClF3N5
  • Average mass417.815 Da
  • Monoisotopic mass417.096802 Da
  • ChemSpider ID125735582

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,4-dimethylphenyl)- [ACD/Index Name]
N-[4-Chlor-3-(trifluormethyl)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-[4-Chloro-3-(trifluorométhyl)phényl]-1-(2,4-diméthylphényl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 491.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.8±28.7 °C
Index of Refraction: 1.640
Molar Refractivity: 105.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19521.71
ACD/KOC (pH 5.5): 40928.71
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19633.10
ACD/KOC (pH 7.4): 41162.25
Polar Surface Area: 56 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 291.6±7.0 cm3

Click to predict properties on the Chemicalize site


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