ChemSpider 2D Image | Ethyl 5-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate | C12H16N4O4S

Ethyl 5-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC12H16N4O4S
  • Average mass312.345 Da
  • Monoisotopic mass312.089233 Da
  • ChemSpider ID21130460

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-1-methyl-, ethyl ester [ACD/Index Name]
5-[(3,5-Diméthyl-1H-pyrazol-1-yl)sulfonyl]-1-méthyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-1-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.2±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 78.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.55
ACD/KOC (pH 5.5): 212.82
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.55
ACD/KOC (pH 7.4): 212.82
Polar Surface Area: 104 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 220.4±7.0 cm3

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