N-[3-(morpholin-4-yl)propyl]-2-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 740556
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: n1(C(C(=O)NCCCN2CCOCC2)CC)nccc1
• Canonical SMILES: CCC(n1cccn1)C(=O)NCCCN1CCOCC1
• InChI: InChI=1S/C14H24N4O2/c1-2-13(18-8-4-6-16-18)14(19)15-5-3-7-17-9-11-20-12-10-17/h4,6,8,13H,2-3,5,7,9-12H2,1H3,(H,15,19)
• InChIKey: OLIVTEMVDCIIEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(morpholin-4-yl)propyl]-2-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-[3-(morpholin-4-yl)propyl]-2-(pyrazol-1-yl)butanamide
• Synonyms: N-[3-(4-morpholinyl)propyl]-2-(1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.338989
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2660549
• LogD (pH = 7.4): 0.10055017
• Log P: 0.24721308
• Molar Refractivity: 88.7418 cm^3
• Polarizability: 30.103605 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.1
• LOG S: -2.47
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7