ChemSpider 2D Image | [3-({[1-(2-Methyl-2-propanyl)-2-(1-methyl-1H-pyrazol-4-yl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)phenyl]boronic acid | C19H25BN4O4

[3-({[1-(2-Methyl-2-propanyl)-2-(1-methyl-1H-pyrazol-4-yl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)phenyl]boronic acid

  • Molecular FormulaC19H25BN4O4
  • Average mass384.237 Da
  • Monoisotopic mass384.196899 Da
  • ChemSpider ID72869519

More details:

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

[3-({[1-(2-Methyl-2-propanyl)-2-(1-methyl-1H-pyrazol-4-yl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)phenyl]boronic acid [ACD/IUPAC Name]
[3-({[1-(2-Methyl-2-propanyl)-2-(1-methyl-1H-pyrazol-4-yl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [3-({[1-(2-méthyl-2-propanyl)-2-(1-méthyl-1H-pyrazol-4-yl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[[1-(1,1-dimethylethyl)-2-(1-methyl-1H-pyrazol-4-yl)-5-oxo-3-pyrrolidinyl]carbonyl]amino]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 102.62
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.67
ACD/KOC (pH 7.4): 83.06
Polar Surface Area: 108 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 299.8±7.0 cm3

Click to predict properties on the Chemicalize site


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