N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 517375
• Molecular Formular: C19H34N4O
• Molecular Mass: 334.49946
• Monoisotopic Mass: 334.27326173
• SMILES: c1(c(cnn1CCCC)C)NC(=O)CC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CCCCn1ncc(c1NC(=O)CC1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C19H34N4O/c1-7-8-9-23-17(14(2)13-20-23)21-16(24)10-15-11-18(3,4)22-19(5,6)12-15/h13,15,22H,7-12H2,1-6H3,(H,21,24)
• InChIKey: CNWOVBJRVIQTCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-(2-butyl-4-methylpyrazol-3-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.157821
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.019054718
• LogD (pH = 7.4): 0.44207206
• Log P: 3.2519104
• Molar Refractivity: 111.1132 cm^3
• Polarizability: 38.43994 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.2
• LOG S: -4.37
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 6