ChemSpider 2D Image | 3-[4-({[2-(1H-Pyrazol-1-yl)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile | C17H15N9

3-[4-({[2-(1H-Pyrazol-1-yl)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile

  • Molecular FormulaC17H15N9
  • Average mass345.361 Da
  • Monoisotopic mass345.145050 Da
  • ChemSpider ID35259873

More details:






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

1H-Pyrazolo[3,4-d]pyrimidine-1-propanenitrile, 4-[[[2-(1H-pyrazol-1-yl)-3-pyridinyl]methyl]amino]- [ACD/Index Name]
3-[4-({[2-(1H-Pyrazol-1-yl)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile [ACD/IUPAC Name]
3-[4-({[2-(1H-Pyrazol-1-yl)-3-pyridinyl]méthyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile [French] [ACD/IUPAC Name]
3-[4-({[2-(1H-Pyrazol-1-yl)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propannitril [German] [ACD/IUPAC Name]
https://mcule.com/MCULE-3222335482

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±31.5 °C
Index of Refraction: 1.766
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.95
ACD/KOC (pH 5.5): 109.08
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.99
ACD/KOC (pH 7.4): 109.90
Polar Surface Area: 110 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 238.8±7.0 cm3

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