ChemSpider 2D Image | 1-[1-(5-Amino-2-pyridinyl)-5-methyl-1H-pyrazol-4-yl]-1-butanone | C13H16N4O

1-[1-(5-Amino-2-pyridinyl)-5-methyl-1H-pyrazol-4-yl]-1-butanone

  • Molecular FormulaC13H16N4O
  • Average mass244.292 Da
  • Monoisotopic mass244.132416 Da
  • ChemSpider ID58114154

More details:

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

1-[1-(5-Amino-2-pyridinyl)-5-methyl-1H-pyrazol-4-yl]-1-butanon [German] [ACD/IUPAC Name]
1-[1-(5-Amino-2-pyridinyl)-5-methyl-1H-pyrazol-4-yl]-1-butanone [ACD/IUPAC Name]
1-[1-(5-Amino-2-pyridinyl)-5-méthyl-1H-pyrazol-4-yl]-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[1-(5-amino-2-pyridinyl)-5-methyl-1H-pyrazol-4-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 453.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.0±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.74
ACD/KOC (pH 5.5): 150.60
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.74
ACD/KOC (pH 7.4): 150.64
Polar Surface Area: 74 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 197.4±7.0 cm3

Click to predict properties on the Chemicalize site


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