ChemSpider 2D Image | 3-Bromo-1-(2-methyl-2-propanyl)-4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1H-pyrazolo[3,4-d]pyrimidine | C15H18BrN7

3-Bromo-1-(2-methyl-2-propanyl)-4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC15H18BrN7
  • Average mass376.254 Da
  • Monoisotopic mass375.080688 Da
  • ChemSpider ID78583932

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-1-(1,1-dimethylethyl)-4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]- [ACD/Index Name]
3-Brom-1-(2-methyl-2-propanyl)-4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
3-Bromo-1-(2-methyl-2-propanyl)-4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
3-Bromo-1-(2-méthyl-2-propanyl)-4-[3-(1H-pyrazol-1-yl)-1-azétidinyl]-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: 1.7±0.1 g/cm3
Boiling Point: 532.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.9±30.1 °C
Index of Refraction: 1.759
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.42
ACD/KOC (pH 5.5): 537.74
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.96
ACD/KOC (pH 7.4): 555.57
Polar Surface Area: 65 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 226.6±7.0 cm3

Click to predict properties on the Chemicalize site


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