ChemSpider 2D Image | 4-[({4-[(5-Methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)methyl]benzonitrile | C17H15N9

4-[({4-[(5-Methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)methyl]benzonitrile

  • Molecular FormulaC17H15N9
  • Average mass345.361 Da
  • Monoisotopic mass345.145050 Da
  • ChemSpider ID129201598

More details:

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

4-[({4-[(5-Methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)methyl]benzonitril [German] [ACD/IUPAC Name]
4-[({4-[(5-Methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)methyl]benzonitrile [ACD/IUPAC Name]
4-[({4-[(5-Méthyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 767.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.0±35.7 °C
Index of Refraction: 1.748
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.12
ACD/KOC (pH 5.5): 625.11
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.46
ACD/KOC (pH 7.4): 639.71
Polar Surface Area: 131 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 231.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement