ChemSpider 2D Image | 1-Carbamoyl-5,5-dimethyl-4,5-dihydro-1H-pyrazol-3-yl methanesulfonate | C7H13N3O4S

1-Carbamoyl-5,5-dimethyl-4,5-dihydro-1H-pyrazol-3-yl methanesulfonate

  • Molecular FormulaC7H13N3O4S
  • Average mass235.261 Da
  • Monoisotopic mass235.062683 Da
  • ChemSpider ID23235915

More details:

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

1-Carbamoyl-5,5-dimethyl-4,5-dihydro-1H-pyrazol-3-yl methanesulfonate [ACD/IUPAC Name]
1-Carbamoyl-5,5-dimethyl-4,5-dihydro-1H-pyrazol-3-yl-methansulfonat [German] [ACD/IUPAC Name]
1H-Pyrazole-1-carboxamide, 4,5-dihydro-5,5-dimethyl-3-[(methylsulfonyl)oxy]- [ACD/Index Name]
Méthanesulfonate de 1-carbamoyl-5,5-diméthyl-4,5-dihydro-1H-pyrazol-3-yle [French] [ACD/IUPAC Name]
Methanesulfonic acid 1-carbamoyl-5,5-dimethyl-4,5-dihydro-1H-pyrazol-3-yl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 353.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 167.7±23.2 °C
Index of Refraction: 1.597
Molar Refractivity: 53.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.02
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.02
Polar Surface Area: 110 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 155.9±7.0 cm3

Click to predict properties on the Chemicalize site


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