ChemSpider 2D Image | (4aS,5aS)-N-(1-Hydroxy-3,3-dimethyl-2-butanyl)-1-(4-oxido-2-pyrazinyl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxamide | C18H23N5O3

(4aS,5aS)-N-(1-Hydroxy-3,3-dimethyl-2-butanyl)-1-(4-oxido-2-pyrazinyl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxamide

  • Molecular FormulaC18H23N5O3
  • Average mass357.407 Da
  • Monoisotopic mass357.180084 Da
  • ChemSpider ID76820919

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4aS,5aS)-N-(1-Hydroxy-3,3-dimethyl-2-butanyl)-1-(4-oxido-2-pyrazinyl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
(4aS,5aS)-N-(1-Hydroxy-3,3-dimethyl-2-butanyl)-1-(4-oxido-2-pyrazinyl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxamide [ACD/IUPAC Name]
(4aS,5aS)-N-(1-Hydroxy-3,3-diméthyl-2-butanyl)-1-(4-oxydo-2-pyrazinyl)-4,4a,5,5a-tétrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
1H-Cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxamide, 4,4a,5,5a-tetrahydro-N-[1-(hydroxymethyl)-2,2-dimethylpropyl]-1-(4-oxido-2-pyrazinyl)-, (4aS,5aS)- [ACD/Index Name]
2225878-32-8 [RN]
3-((4AS,5AS)-3-((1-HYDROXY-3,3-DIMETHYLBUTAN-2-YL)CARBAMOYL)-4,4A,5,5A-TETRAHYDRO-1H-CYCLOPROPA[4,5]CYCLOPENTA[1,2-C]PYRAZOL-1-YL)PYRAZINE 1-OXIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 338.8±31.5 °C
Index of Refraction: 1.727
Molar Refractivity: 94.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 88.90
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 88.90
Polar Surface Area: 106 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 238.6±7.0 cm3

Click to predict properties on the Chemicalize site


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