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Search term: MACSPWGTMJSVNZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-[1-(1H-Imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-methyl-1H-pyrazole | C16H16N4

4-[1-(1H-Imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-methyl-1H-pyrazole

  • Molecular FormulaC16H16N4
  • Average mass264.325 Da
  • Monoisotopic mass264.137512 Da
  • ChemSpider ID23316448

More details:






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

1H-Pyrazole, 4-[2,3-dihydro-1-(1H-imidazol-2-yl)-1H-inden-4-yl]-3-methyl- [ACD/Index Name]
4-[1-(1H-Imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-methyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-[1-(1H-Imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-methyl-1H-pyrazole [ACD/IUPAC Name]
4-[1-(1H-Imidazol-2-yl)-2,3-dihydro-1H-indén-4-yl]-3-méthyl-1H-pyrazole [French] [ACD/IUPAC Name]
2-(4-(3-methyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl)-1H-imidazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 277.5±23.1 °C
Index of Refraction: 1.669
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.29
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 26.63
ACD/KOC (pH 7.4): 260.95
Polar Surface Area: 57 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 207.4±3.0 cm3

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