ChemSpider 2D Image | 4-[1-(3-Methylphenyl)-1H-pyrazol-4-yl]-N-[1-(1H-1,2,4-triazol-1-yl)-2-propanyl]-2-pyrimidinamine | C19H20N8

4-[1-(3-Methylphenyl)-1H-pyrazol-4-yl]-N-[1-(1H-1,2,4-triazol-1-yl)-2-propanyl]-2-pyrimidinamine

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID22521634

More details:

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

2-Pyrimidinamine, 4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]- [ACD/Index Name]
4-[1-(3-Methylphenyl)-1H-pyrazol-4-yl]-N-[1-(1H-1,2,4-triazol-1-yl)-2-propanyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[1-(3-Methylphenyl)-1H-pyrazol-4-yl]-N-[1-(1H-1,2,4-triazol-1-yl)-2-propanyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-[1-(3-Méthylphényl)-1H-pyrazol-4-yl]-N-[1-(1H-1,2,4-triazol-1-yl)-2-propanyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]-2-pyrimidinamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 105.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.15
ACD/KOC (pH 5.5): 435.08
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.31
ACD/KOC (pH 7.4): 437.21
Polar Surface Area: 86 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 272.4±7.0 cm3

Click to predict properties on the Chemicalize site


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