ChemSpider 2D Image | 1-[3-(4-Methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethanone | C14H15N5O

1-[3-(4-Methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethanone

  • Molecular FormulaC14H15N5O
  • Average mass269.302 Da
  • Monoisotopic mass269.127655 Da
  • ChemSpider ID21128645

More details:

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

1-[3-(4-Methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-[3-(4-Methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethanone [ACD/IUPAC Name]
1-[3-(4-Méthylphényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1H-1,2,4-triazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4,5-dihydro-3-(4-methylphenyl)-1H-pyrazol-1-yl]-2-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.1±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 77.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 56.17
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 56.21
Polar Surface Area: 63 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 204.6±7.0 cm3

Click to predict properties on the Chemicalize site


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