ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-3-methyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | C20H18F6N4O

N-[3,5-Bis(trifluoromethyl)phenyl]-3-methyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

  • Molecular FormulaC20H18F6N4O
  • Average mass444.374 Da
  • Monoisotopic mass444.138489 Da
  • ChemSpider ID67636488

More details:

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

1H-Pyrazolo[3,4-b]pyridine-5-carboxamide, N-[3,5-bis(trifluoromethyl)phenyl]-1-(1,1-dimethylethyl)-3-methyl- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-3-methyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-3-methyl-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-3-méthyl-1-(2-méthyl-2-propanyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [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: 399.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 195.7±27.9 °C
Index of Refraction: 1.543
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4675.16
ACD/KOC (pH 5.5): 14736.69
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4675.42
ACD/KOC (pH 7.4): 14737.51
Polar Surface Area: 60 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 34.3±7.0 dyne/cm
Molar Volume: 321.0±7.0 cm3

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