N-(3-methyl-1-propyl-1H-pyrazol-5-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

• ChemBase ID: 441918
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c1(NC(=O)N2CC(OCc3ncccc3)CCC2)n(nc(c1)C)CCC
• Canonical SMILES: CCCn1nc(cc1NC(=O)N1CCCC(C1)OCc1ccccn1)C
• InChI: InChI=1S/C19H27N5O2/c1-3-10-24-18(12-15(2)22-24)21-19(25)23-11-6-8-17(13-23)26-14-16-7-4-5-9-20-16/h4-5,7,9,12,17H,3,6,8,10-11,13-14H2,1-2H3,(H,21,25)
• InChIKey: VOSNUXOXGOMRDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methyl-1-propyl-1H-pyrazol-5-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-(5-methyl-2-propylpyrazol-3-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
• Synonyms: N-(3-methyl-1-propyl-1H-pyrazol-5-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.22116
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8507973
• LogD (pH = 7.4): 1.8593651
• Log P: 1.859476
• Molar Refractivity: 111.6001 cm^3
• Polarizability: 38.234455 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.72
• LOG S: -1.98
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6