ChemSpider 2D Image | Methyl 5-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate | C12H14N4O5S

Methyl 5-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

  • Molecular FormulaC12H14N4O5S
  • Average mass326.328 Da
  • Monoisotopic mass326.068481 Da
  • ChemSpider ID29566879

More details:

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

5-[(5-Méthyl-1,2-oxazol-4-yl)sulfonyl]-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrazine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate [ACD/IUPAC Name]
Methyl-5-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-carboxylat [German] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrazine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-[(5-methyl-4-isoxazolyl)sulfonyl]-, methyl ester [ACD/Index Name]
methyl 5-[(5-methylisoxazol-4-yl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 582.7±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: 306.2±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 77.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.63
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.63
Polar Surface Area: 116 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 200.1±7.0 cm3

Click to predict properties on the Chemicalize site


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