ChemSpider 2D Image | (4S,5S)-1-Cyclopropyl-4-[(1,1-difluoro-6-azaspiro[2.5]oct-6-yl)carbonyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidinone | C20H26F2N4O2

(4S,5S)-1-Cyclopropyl-4-[(1,1-difluoro-6-azaspiro[2.5]oct-6-yl)carbonyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidinone

  • Molecular FormulaC20H26F2N4O2
  • Average mass392.443 Da
  • Monoisotopic mass392.202393 Da
  • ChemSpider ID64997568

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5S)-1-Cyclopropyl-4-[(1,1-difluor-6-azaspiro[2.5]oct-6-yl)carbonyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
(4S,5S)-1-Cyclopropyl-4-[(1,1-difluoro-6-azaspiro[2.5]oct-6-yl)carbonyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidinone [ACD/IUPAC Name]
(4S,5S)-1-Cyclopropyl-4-[(1,1-difluoro-6-azaspiro[2.5]oct-6-yl)carbonyl]-5-(1,5-diméthyl-1H-pyrazol-4-yl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-cyclopropyl-4-[(1,1-difluoro-6-azaspiro[2.5]oct-6-yl)carbonyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-, (4S,5S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 607.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.9±31.5 °C
Index of Refraction: 1.693
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 76.13
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 76.19
Polar Surface Area: 58 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 258.3±7.0 cm3

Click to predict properties on the Chemicalize site


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