ChemSpider 2D Image | 3-[3,5-Dimethyl-4-(4-morpholinylsulfonyl)-1H-pyrazol-1-yl]propanoic acid | C12H19N3O5S

3-[3,5-Dimethyl-4-(4-morpholinylsulfonyl)-1H-pyrazol-1-yl]propanoic acid

  • Molecular FormulaC12H19N3O5S
  • Average mass317.361 Da
  • Monoisotopic mass317.104553 Da
  • ChemSpider ID27451417

More details:

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

1H-Pyrazole-1-propanoic acid, 3,5-dimethyl-4-(4-morpholinylsulfonyl)- [ACD/Index Name]
3-[3,5-Dimethyl-4-(4-morpholinylsulfonyl)-1H-pyrazol-1-yl]propanoic acid [ACD/IUPAC Name]
3-[3,5-Dimethyl-4-(4-morpholinylsulfonyl)-1H-pyrazol-1-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[3,5-diméthyl-4-(4-morpholinylsulfonyl)-1H-pyrazol-1-yl]propanoïque [French] [ACD/IUPAC Name]
3-[3,5-dimethyl-4-(morpholin-4-ylsulfonyl)-1H-pyrazol-1-yl]propanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 548.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 214.7±7.0 cm3

Click to predict properties on the Chemicalize site


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