5-methyl-N-(1-phenylpiperidin-4-yl)-1-propyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 524040
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(c(n(nc1)CCC)C)C(=O)NC1CCN(CC1)c1ccccc1
• Canonical SMILES: CCCn1ncc(c1C)C(=O)NC1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C19H26N4O/c1-3-11-23-15(2)18(14-20-23)19(24)21-16-9-12-22(13-10-16)17-7-5-4-6-8-17/h4-8,14,16H,3,9-13H2,1-2H3,(H,21,24)
• InChIKey: JCCHOAZIYWKPHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(1-phenylpiperidin-4-yl)-1-propyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N-(1-phenylpiperidin-4-yl)-1-propylpyrazole-4-carboxamide
• Synonyms: 5-methyl-N-(1-phenyl-4-piperidinyl)-1-propyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.874959
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.260236
• LogD (pH = 7.4): 2.4688115
• Log P: 2.4722402
• Molar Refractivity: 109.3084 cm^3
• Polarizability: 36.39472 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.78
• LOG S: -3.96
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5