ChemSpider 2D Image | 3-(4,5-Dimethyl-1H-pyrazol-3-yl)-1-[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]-1-propanone | C14H21N7O

3-(4,5-Dimethyl-1H-pyrazol-3-yl)-1-[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID52605314

More details:

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

1-Propanone, 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]- [ACD/Index Name]
3-(4,5-Dimethyl-1H-pyrazol-3-yl)-1-[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-(4,5-Dimethyl-1H-pyrazol-3-yl)-1-[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-(4,5-Diméthyl-1H-pyrazol-3-yl)-1-[4-(1H-1,2,4-triazol-3-yl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(1H-1,2,4-triazol-3-yl)piperazine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.6±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.88
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 41.62
Polar Surface Area: 94 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 230.1±3.0 cm3

Click to predict properties on the Chemicalize site


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