ChemSpider 2D Image | 4-(1-Azetidinyl)-1-methyl-3-{1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}-1H-pyrazolo[3,4-d]pyrimidine | C19H17F3N8

4-(1-Azetidinyl)-1-methyl-3-{1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC19H17F3N8
  • Average mass414.387 Da
  • Monoisotopic mass414.152832 Da
  • ChemSpider ID31136250

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 4-(1-azetidinyl)-1-methyl-3-[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]- [ACD/Index Name]
4-(1-Azetidinyl)-1-methyl-3-{1-methyl-5-[5-(trifluormethyl)-2-pyridinyl]-1H-pyrazol-4-yl}-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4-(1-Azetidinyl)-1-methyl-3-{1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4-(1-Azétidinyl)-1-méthyl-3-{1-méthyl-5-[5-(trifluorométhyl)-2-pyridinyl]-1H-pyrazol-4-yl}-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 549.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.720
Molar Refractivity: 104.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.85
ACD/KOC (pH 5.5): 136.65
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.08
ACD/KOC (pH 7.4): 141.21
Polar Surface Area: 78 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

Click to predict properties on the Chemicalize site


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