ChemSpider 2D Image | Ethyl 1-(4-methoxybenzyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxylate | C21H22N2O3

Ethyl 1-(4-methoxybenzyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

  • Molecular FormulaC21H22N2O3
  • Average mass350.411 Da
  • Monoisotopic mass350.163055 Da
  • ChemSpider ID21498770

More details:

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

1-(4-Méthoxybenzyl)-3-(4-méthylphényl)-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxylic acid, 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-methoxybenzyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-methoxybenzyl)-3-(4-methylphenyl)-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
ETHYL 1-(4-METHOXYBENZYL)-3-PARA-TOLYL-1H-PYRAZOLE-5-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.8±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2221.60
ACD/KOC (pH 5.5): 8652.46
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2221.61
ACD/KOC (pH 7.4): 8652.49
Polar Surface Area: 53 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 308.2±7.0 cm3

Click to predict properties on the Chemicalize site


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