ChemSpider 2D Image | Methyl 3-ethyl-5-{[4-(2-furoyl)-1-piperazinyl]sulfonyl}-1H-pyrazole-4-carboxylate | C16H20N4O6S

Methyl 3-ethyl-5-{[4-(2-furoyl)-1-piperazinyl]sulfonyl}-1H-pyrazole-4-carboxylate

  • Molecular FormulaC16H20N4O6S
  • Average mass396.418 Da
  • Monoisotopic mass396.110352 Da
  • ChemSpider ID26312584

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-ethyl-5-[[4-(2-furanylcarbonyl)-1-piperazinyl]sulfonyl]-, methyl ester [ACD/Index Name]
3-Éthyl-5-{[4-(2-furoyl)-1-pipérazinyl]sulfonyl}-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-ethyl-5-{[4-(2-furoyl)-1-piperazinyl]sulfonyl}-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-3-ethyl-5-{[4-(2-furoyl)-1-piperazinyl]sulfonyl}-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1239486-42-0 [RN]
methyl 3-ethyl-5-((4-(furan-2-carbonyl)piperazin-1-yl)sulfonyl)-1H-pyrazole-4-carboxylate
methyl 3-ethyl-5-{[4-(2-furoyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-4-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.37
ACD/KOC (pH 5.5): 115.89
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 113.95
Polar Surface Area: 134 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

Click to predict properties on the Chemicalize site


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