ChemSpider 2D Image | N-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C18H20N8

N-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID29527499

More details:






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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-(4-pyridinyl)- [ACD/Index Name]
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-[(1-Éthyl-5-méthyl-1H-pyrazol-4-yl)méthyl]-1-méthyl-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 508.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.2±30.1 °C
Index of Refraction: 1.721
Molar Refractivity: 101.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.98
ACD/KOC (pH 5.5): 217.85
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.02
ACD/KOC (pH 7.4): 218.44
Polar Surface Area: 86 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 255.5±7.0 cm3

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