ChemSpider 2D Image | 4-(Ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium | C14H17N2O2

4-(Ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium

  • Molecular FormulaC14H17N2O2
  • Average mass245.296 Da
  • Monoisotopic mass245.128448 Da
  • ChemSpider ID22376257
  • Charge - Charge


More details:






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

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, ethyl ester, conjugate monoacid [ACD/Index Name]
4-(Ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium [ACD/IUPAC Name]
4-(Ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium [German] [ACD/IUPAC Name]
4-(Éthoxycarbonyl)-3,5-diméthyl-1-phényl-1H-pyrazol-2-ium [French] [ACD/IUPAC Name]
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester

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

Density:
Boiling Point: 345.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 162.8±26.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.52
ACD/KOC (pH 5.5): 1377.59
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 170.52
ACD/KOC (pH 7.4): 1377.60
Polar Surface Area: 45 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement