ChemSpider 2D Image | 5-[(1,3-Dihydroxy-2-propanyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid | C7H11N3O6S

5-[(1,3-Dihydroxy-2-propanyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC7H11N3O6S
  • Average mass265.244 Da
  • Monoisotopic mass265.036865 Da
  • ChemSpider ID48580312

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]sulfonyl]- [ACD/Index Name]
5-[(1,3-Dihydroxy-2-propanyl)sulfamoyl]-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(1,3-Dihydroxy-2-propanyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(1,3-dihydroxy-2-propanyl)sulfamoyl]-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 729.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.0±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -3.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 99.0±3.0 dyne/cm
Molar Volume: 152.5±3.0 cm3

Click to predict properties on the Chemicalize site


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