ChemSpider 2D Image | {1-Isopropyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazol-3-yl}(1-pyrrolidinyl)methanone | C22H29N5O6S

{1-Isopropyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazol-3-yl}(1-pyrrolidinyl)methanone

  • Molecular FormulaC22H29N5O6S
  • Average mass491.561 Da
  • Monoisotopic mass491.183868 Da
  • ChemSpider ID29260467

More details:

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

{1-Isopropyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazol-3-yl}(1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
{1-Isopropyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazol-3-yl}(1-pyrrolidinyl)methanone [ACD/IUPAC Name]
{1-Isopropyl-4-méthyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phénoxy]-1H-pyrazol-3-yl}(1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-methyl-1-(1-methylethyl)-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazol-3-yl]-1-pyrrolidinyl- [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: 655.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.78
ACD/KOC (pH 5.5): 375.85
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.78
ACD/KOC (pH 7.4): 375.85
Polar Surface Area: 139 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 336.2±7.0 cm3

Click to predict properties on the Chemicalize site


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