ChemSpider 2D Image | 1-[4-(3-Isopropyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-(1H-tetrazol-1-yl)ethanone | C14H21N7O

1-[4-(3-Isopropyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-(1H-tetrazol-1-yl)ethanone

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID29583007

More details:






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

1-[4-(3-Isopropyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-(1H-tetrazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-[4-(3-Isopropyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-(1H-tetrazol-1-yl)ethanone [ACD/IUPAC Name]
1-[4-(3-Isopropyl-1H-pyrazol-5-yl)-1-pipéridinyl]-2-(1H-tétrazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[3-(1-methylethyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-(1H-tetrazol-1-yl)- [ACD/Index Name]
4-(3-isopropyl-1H-pyrazol-5-yl)-1-(1H-tetrazol-1-ylacetyl)piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 564.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.2±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 37.47
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 38.30
Polar Surface Area: 93 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 213.2±7.0 cm3

Click to predict properties on the Chemicalize site






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