1-(2,2-diphenylethyl)-3-(4-ethyl-1H-pyrazol-5-yl)piperidine

• ChemBase ID: 431313
• Molecular Formular: C24H29N3
• Molecular Mass: 359.50716
• Monoisotopic Mass: 359.23614794
• SMILES: c1(c(cn[nH]1)CC)C1CN(CC(c2ccccc2)c2ccccc2)CCC1
• Canonical SMILES: CCc1cn[nH]c1C1CCCN(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H29N3/c1-2-19-16-25-26-24(19)22-14-9-15-27(17-22)18-23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16,22-23H,2,9,14-15,17-18H2,1H3,(H,25,26)
• InChIKey: WGKYGAJTYBUSRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diphenylethyl)-3-(4-ethyl-1H-pyrazol-5-yl)piperidine
• IUPAC Traditional name: 1-(2,2-diphenylethyl)-3-(4-ethyl-2H-pyrazol-3-yl)piperidine
• Synonyms: 1-(2,2-diphenylethyl)-3-(4-ethyl-1H-pyrazol-5-yl)piperidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.42488
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6395224
• LogD (pH = 7.4): 2.3269458
• Log P: 5.119048
• Molar Refractivity: 113.8932 cm^3
• Polarizability: 43.52786 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.77
• LOG S: -5.57
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 5