ChemSpider 2D Image | {3-[3-(Methylamino)-3-oxo-1-propyn-1-yl]-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl}boronic acid | C11H16BN3O3

{3-[3-(Methylamino)-3-oxo-1-propyn-1-yl]-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl}boronic acid

  • Molecular FormulaC11H16BN3O3
  • Average mass249.074 Da
  • Monoisotopic mass249.128479 Da
  • ChemSpider ID91799898

More details:

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

{3-[3-(Methylamino)-3-oxo-1-propin-1-yl]-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl}borsäure [German] [ACD/IUPAC Name]
{3-[3-(Methylamino)-3-oxo-1-propyn-1-yl]-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl}boronic acid [ACD/IUPAC Name]
Acide {3-[3-(méthylamino)-3-oxo-1-propyn-1-yl]-1-(2-méthyl-2-propanyl)-1H-pyrazol-4-yl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-(1,1-dimethylethyl)-3-[3-(methylamino)-3-oxo-1-propyn-1-yl]-1H-pyrazol-4-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.529
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 72.63
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.92
Polar Surface Area: 87 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 39.6±7.0 dyne/cm
Molar Volume: 220.2±7.0 cm3

Click to predict properties on the Chemicalize site


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