ChemSpider 2D Image | N-[1-(5-Chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl]-4-(1-pyrrolidinylmethyl)benzamide | C27H33ClN4O2

N-[1-(5-Chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl]-4-(1-pyrrolidinylmethyl)benzamide

  • Molecular FormulaC27H33ClN4O2
  • Average mass481.030 Da
  • Monoisotopic mass480.229218 Da
  • ChemSpider ID25036768

More details:

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

Benzamide, N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-1H-pyrazol-3-yl]-4-(1-pyrrolidinylmethyl)- [ACD/Index Name]
N-[1-(5-Chlor-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl]-4-(1-pyrrolidinylmethyl)benzamid [German] [ACD/IUPAC Name]
N-[1-(5-Chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl]-4-(1-pyrrolidinylmethyl)benzamide [ACD/IUPAC Name]
N-[1-(5-Chloro-2-isobutoxybenzyl)-5-méthyl-1H-pyrazol-3-yl]-4-(1-pyrrolidinylméthyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 18.28
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 90.33
ACD/KOC (pH 7.4): 256.64
Polar Surface Area: 59 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 394.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement