Found 1 result

Search term: DIWCSTDCMYQMNO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(4-Methoxyphenyl)-N-{1-[2-(1-pyrrolidinylmethyl)phenyl]-4-piperidinyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | C28H32F3N5O2

1-(4-Methoxyphenyl)-N-{1-[2-(1-pyrrolidinylmethyl)phenyl]-4-piperidinyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC28H32F3N5O2
  • Average mass527.581 Da
  • Monoisotopic mass527.250793 Da
  • ChemSpider ID23304977

More details:

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

1-(4-Methoxyphenyl)-N-{1-[2-(1-pyrrolidinylmethyl)phenyl]-4-piperidinyl}-3-(trifluormethyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
1-(4-Methoxyphenyl)-N-{1-[2-(1-pyrrolidinylmethyl)phenyl]-4-piperidinyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
1-(4-Méthoxyphényl)-N-{1-[2-(1-pyrrolidinylméthyl)phényl]-4-pipéridinyl}-3-(trifluorométhyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
1-(4-methoxyphenyl)-N-{1-[2-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-yl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
1H-Pyrazole-5-carboxamide, 1-(4-methoxyphenyl)-N-[1-[2-(1-pyrrolidinylmethyl)phenyl]-4-piperidinyl]-3-(trifluoromethyl)- [ACD/Index Name]
1-(4-methoxyphenyl)-N-(1-(2-(pyrrolidin-1-ylmethyl)phenyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395366/
Pyrazole-based inhibitor containing N-arylpiperidiny, 11c

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.6±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 10.92
Polar Surface Area: 63 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 398.9±7.0 cm3

Click to predict properties on the Chemicalize site


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