1-(1-ethyl-5-methyl-1H-pyrazole-3-carbonyl)-2-(4-fluorophenyl)piperidine

• ChemBase ID: 835953
• Molecular Formular: C18H22FN3O
• Molecular Mass: 315.3851832
• Monoisotopic Mass: 315.17469056
• SMILES: c1(nn(c(c1)C)CC)C(=O)N1C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: CCn1nc(cc1C)C(=O)N1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C18H22FN3O/c1-3-22-13(2)12-16(20-22)18(23)21-11-5-4-6-17(21)14-7-9-15(19)10-8-14/h7-10,12,17H,3-6,11H2,1-2H3
• InChIKey: HXUBCHZOSHEHBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-ethyl-5-methyl-1H-pyrazole-3-carbonyl)-2-(4-fluorophenyl)piperidine
• IUPAC Traditional name: 1-(1-ethyl-5-methylpyrazole-3-carbonyl)-2-(4-fluorophenyl)piperidine
• Synonyms: 1-[(1-ethyl-5-methyl-1H-pyrazol-3-yl)carbonyl]-2-(4-fluorophenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4186225
• LogD (pH = 7.4): 3.418626
• Log P: 3.418626
• Molar Refractivity: 100.0007 cm^3
• Polarizability: 33.081226 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.8
• LOG S: -3.04
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3