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

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

  • Molecular FormulaC17H15N9
  • Average mass345.361 Da
  • Monoisotopic mass345.145050 Da
  • ChemSpider ID127420756

More details:

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

[3-({4-[(1-Methyl-1H-pyrazol-4-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)phenyl]cyanamid [German] [ACD/IUPAC Name]
[3-({4-[(1-Methyl-1H-pyrazol-4-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)phenyl]cyanamide [ACD/IUPAC Name]
[3-({4-[(1-Méthyl-1H-pyrazol-4-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}méthyl)phényl]cyanamide [French] [ACD/IUPAC Name]
Cyanamide, N-[3-[[4-[(1-methyl-1H-pyrazol-4-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]- [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: 624.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.4±34.3 °C
Index of Refraction: 1.768
Molar Refractivity: 98.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.86
ACD/KOC (pH 5.5): 178.60
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.94
ACD/KOC (pH 7.4): 180.13
Polar Surface Area: 109 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 237.9±7.0 cm3

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