4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

• ChemBase ID: 660804
• Molecular Formular: C17H26N6O2
• Molecular Mass: 346.42734
• Monoisotopic Mass: 346.2117241
• SMILES: c1(n(nc(c1)C)C(C)C)NC(=O)N1CCC(Cc2nc(no2)C)CC1
• Canonical SMILES: Cc1noc(n1)CC1CCN(CC1)C(=O)Nc1cc(nn1C(C)C)C
• InChI: InChI=1S/C17H26N6O2/c1-11(2)23-15(9-12(3)20-23)19-17(24)22-7-5-14(6-8-22)10-16-18-13(4)21-25-16/h9,11,14H,5-8,10H2,1-4H3,(H,19,24)
• InChIKey: VGMDHYYIDABRNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-isopropyl-5-methylpyrazol-3-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
• Synonyms: N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.209974
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7321895
• LogD (pH = 7.4): 1.7326903
• Log P: 1.7326974
• Molar Refractivity: 107.3592 cm^3
• Polarizability: 35.289738 Å^3
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.19
• LOG S: -2.74
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 4