ChemSpider 2D Image | 2-(3,5-Dimethyl-4-{[3-(1-piperidinylcarbonyl)-1-piperidinyl]sulfonyl}-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone | C22H35N5O4S

2-(3,5-Dimethyl-4-{[3-(1-piperidinylcarbonyl)-1-piperidinyl]sulfonyl}-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone

  • Molecular FormulaC22H35N5O4S
  • Average mass465.609 Da
  • Monoisotopic mass465.240967 Da
  • ChemSpider ID28315604

More details:

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

2-(3,5-Dimethyl-4-{[3-(1-piperidinylcarbonyl)-1-piperidinyl]sulfonyl}-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanon [German] [ACD/IUPAC Name]
2-(3,5-Dimethyl-4-{[3-(1-piperidinylcarbonyl)-1-piperidinyl]sulfonyl}-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone [ACD/IUPAC Name]
2-(3,5-Diméthyl-4-{[3-(1-pipéridinylcarbonyl)-1-pipéridinyl]sulfonyl}-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[3,5-dimethyl-4-[[3-(1-piperidinylcarbonyl)-1-piperidinyl]sulfonyl]-1H-pyrazol-1-yl]-1-(1-pyrrolidinyl)- [ACD/Index Name]
1-{[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazol-4-yl]sulfonyl}-3-(piperidin-1-ylcarbonyl)piperidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.73
ACD/KOC (pH 5.5): 250.22
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.73
ACD/KOC (pH 7.4): 250.22
Polar Surface Area: 104 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 333.4±7.0 cm3

Click to predict properties on the Chemicalize site


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