1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 545192
• Molecular Formular: C17H30N4
• Molecular Mass: 290.4469
• Monoisotopic Mass: 290.24704698
• SMILES: c1(c(n(nc1)CCC)C)CN1CC(N2CCCC2)CCC1
• Canonical SMILES: CCCn1ncc(c1C)CN1CCCC(C1)N1CCCC1
• InChI: InChI=1S/C17H30N4/c1-3-8-21-15(2)16(12-18-21)13-19-9-6-7-17(14-19)20-10-4-5-11-20/h12,17H,3-11,13-14H2,1-2H3
• InChIKey: JDKHDMDOQSJKJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-(1-pyrrolidinyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3391418
• LogD (pH = 7.4): -0.166894
• Log P: 2.311401
• Molar Refractivity: 100.6977 cm^3
• Polarizability: 34.361675 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: 2.6
• LOG S: -1.91
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 3