ChemSpider 2D Image | 3-(Isopropylcarbamoyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride | C8H12ClN3O3S

3-(Isopropylcarbamoyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC8H12ClN3O3S
  • Average mass265.717 Da
  • Monoisotopic mass265.028778 Da
  • ChemSpider ID48217043

More details:

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

1H-Pyrazole-4-sulfonyl chloride, 5-methyl-3-[[(1-methylethyl)amino]carbonyl]- [ACD/Index Name]
3-(Isopropylcarbamoyl)-5-methyl-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
3-(Isopropylcarbamoyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 3-(isopropylcarbamoyl)-5-méthyl-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]
5-methyl-3-[(propan-2-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

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

Density: 1.4±0.1 g/cm3
Boiling Point: 454.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.4±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 59.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.12
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.21
Polar Surface Area: 100 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 187.6±3.0 cm3

Click to predict properties on the Chemicalize site


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