1-[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 782166
• Molecular Formular: C25H30N4
• Molecular Mass: 386.5325
• Monoisotopic Mass: 386.24704698
• SMILES: c1(c(nn(c1)c1ccccc1)c1ccccc1)CN1CC(N2CCCC2)CCC1
• Canonical SMILES: c1ccc(cc1)c1nn(cc1CN1CCCC(C1)N1CCCC1)c1ccccc1
• InChI: InChI=1S/C25H30N4/c1-3-10-21(11-4-1)25-22(19-29(26-25)23-12-5-2-6-13-23)18-27-15-9-14-24(20-27)28-16-7-8-17-28/h1-6,10-13,19,24H,7-9,14-18,20H2
• InChIKey: FDFJAEIZKKSXJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]-3-(1-pyrrolidinyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0103279
• LogD (pH = 7.4): 2.2882466
• Log P: 4.9235435
• Molar Refractivity: 120.4979 cm^3
• Polarizability: 48.52624 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.91
• LOG S: -4.16
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5