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Search term: QLXIXKKEOFCMCV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-[(4-Carbamoyl-3-isopropyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-biphenylcarboxylic acid | C24H27N3O3

4'-[(4-Carbamoyl-3-isopropyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-biphenylcarboxylic acid

  • Molecular FormulaC24H27N3O3
  • Average mass405.490 Da
  • Monoisotopic mass405.205231 Da
  • ChemSpider ID23224021

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[4-(aminocarbonyl)-3-(1-methylethyl)-1-propyl-1H-pyrazol-5-yl]methyl]- [ACD/Index Name]
4'-[(4-Carbamoyl-3-isopropyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(4-Carbamoyl-3-isopropyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-{[4-carbamoyl-3-(propan-2-yl)-1-propyl-1H-pyrazol-5-yl]methyl}biphenyl-2-carboxylic acid
Acide 4'-[(4-carbamoyl-3-isopropyl-1-propyl-1H-pyrazol-5-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
4'-(4-Carbamoyl-5-isopropyl-2-propyl-2H-pyrazol-3-ylmethyl)-biphenyl-2-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.2±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 66.85
ACD/KOC (pH 5.5): 242.95
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 10.33
Polar Surface Area: 98 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 334.7±7.0 cm3

Click to predict properties on the Chemicalize site


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