ChemSpider 2D Image | 1-(2,5-Dimethylphenyl)-N-isobutyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazole-3-carboxamide | C27H33N5O6S

1-(2,5-Dimethylphenyl)-N-isobutyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazole-3-carboxamide

  • Molecular FormulaC27H33N5O6S
  • Average mass555.646 Da
  • Monoisotopic mass555.215149 Da
  • ChemSpider ID29228045

More details:

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

1-(2,5-Dimethylphenyl)-N-isobutyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1-(2,5-Dimethylphenyl)-N-isobutyl-4-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
1-(2,5-Diméthylphényl)-N-isobutyl-4-méthyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phénoxy]-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxamide, 1-(2,5-dimethylphenyl)-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1904.76
ACD/KOC (pH 5.5): 7750.09
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1904.76
ACD/KOC (pH 7.4): 7750.09
Polar Surface Area: 148 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 408.5±7.0 cm3

Click to predict properties on the Chemicalize site


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