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Search term: MIHRRKGTTWUDIL-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~3~-Benzyl-1-(4-methoxyphenyl)-N~5~-[4-(1-pyrrolidinylcarbonyl)phenyl]-1H-pyrazole-3,5-dicarboxamide | C30H29N5O4

N3-Benzyl-1-(4-methoxyphenyl)-N5-[4-(1-pyrrolidinylcarbonyl)phenyl]-1H-pyrazole-3,5-dicarboxamide

  • Molecular FormulaC30H29N5O4
  • Average mass523.582 Da
  • Monoisotopic mass523.221924 Da
  • ChemSpider ID8205316

More details:

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

1H-Pyrazole-3,5-dicarboxamide, 1-(4-methoxyphenyl)-N3-(phenylmethyl)-N5-[4-(1-pyrrolidinylcarbonyl)phenyl]- [ACD/Index Name]
N3-Benzyl-1-(4-methoxyphenyl)-N5-[4-(1-pyrrolidinylcarbonyl)phenyl]-1H-pyrazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
N3-Benzyl-1-(4-methoxyphenyl)-N5-[4-(1-pyrrolidinylcarbonyl)phenyl]-1H-pyrazole-3,5-dicarboxamide [ACD/IUPAC Name]
N3-Benzyl-1-(4-méthoxyphényl)-N5-[4-(1-pyrrolidinylcarbonyl)phényl]-1H-pyrazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
N3-benzyl-1-(4-methoxyphenyl)-N5-[4-(pyrrolidin-1-ylcarbonyl)phenyl]-1H-pyrazole-3,5-dicarboxamide
1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 3-benzylamide 5-{[4-(pyrrolidine-1-carbonyl)-phenyl]-amide}
CHEMBL359171
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL359171/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.4±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.20
ACD/KOC (pH 5.5): 824.18
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.19
ACD/KOC (pH 7.4): 824.12
Polar Surface Area: 106 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 405.4±7.0 cm3

Click to predict properties on the Chemicalize site


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