ChemSpider 2D Image | Ethyl 5-[(4-propyl-1-piperazinyl)sulfonyl]-1H-pyrazole-4-carboxylate | C13H22N4O4S

Ethyl 5-[(4-propyl-1-piperazinyl)sulfonyl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC13H22N4O4S
  • Average mass330.403 Da
  • Monoisotopic mass330.136169 Da
  • ChemSpider ID22279189

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[(4-propyl-1-piperazinyl)sulfonyl]-, ethyl ester [ACD/Index Name]
5-[(4-Propyl-1-pipérazinyl)sulfonyl]-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(4-propyl-1-piperazinyl)sulfonyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(4-propyl-1-piperazinyl)sulfonyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1240267-40-6 [RN]
5-(4-Propyl-piperazine-1-sulfonyl)-1H-pyrazole-4-carboxylic acid ethyl ester
ethyl 5-((4-propylpiperazin-1-yl)sulfonyl)-1H-pyrazole-4-carboxylate
ethyl 5-[(4-propylpiperazin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 525.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.7±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 98.04
Polar Surface Area: 104 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 255.9±3.0 cm3

Click to predict properties on the Chemicalize site


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