ChemSpider 2D Image | [({[1-Benzyl-3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]boronic acid | C20H22BN3O3

[({[1-Benzyl-3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]boronic acid

  • Molecular FormulaC20H22BN3O3
  • Average mass363.218 Da
  • Monoisotopic mass363.175415 Da
  • ChemSpider ID72945334

More details:

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

[({[1-Benzyl-3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]boronic acid [ACD/IUPAC Name]
[({[1-Benzyl-3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]borsäure [German] [ACD/IUPAC Name]
Acide [({[1-benzyl-3-(3,4-diméthylphényl)-1H-pyrazol-4-yl]carbonyl}amino)méthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-1H-pyrazol-4-yl]carbonyl]amino]methyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.08
ACD/KOC (pH 5.5): 801.93
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.04
ACD/KOC (pH 7.4): 791.53
Polar Surface Area: 87 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 304.2±7.0 cm3

Click to predict properties on the Chemicalize site


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