2-(2-methoxyethyl)-4-(1-methyl-3-propyl-1H-pyrazole-5-carbonyl)morpholine

• ChemBase ID: 520916
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: c1(n(nc(c1)CCC)C)C(=O)N1CC(OCC1)CCOC
• Canonical SMILES: CCCc1nn(c(c1)C(=O)N1CCOC(C1)CCOC)C
• InChI: InChI=1S/C15H25N3O3/c1-4-5-12-10-14(17(2)16-12)15(19)18-7-9-21-13(11-18)6-8-20-3/h10,13H,4-9,11H2,1-3H3
• InChIKey: PUPHIWYLIDGJOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-4-(1-methyl-3-propyl-1H-pyrazole-5-carbonyl)morpholine
• IUPAC Traditional name: 2-(2-methoxyethyl)-4-(2-methyl-5-propylpyrazole-3-carbonyl)morpholine
• Synonyms: 2-(2-methoxyethyl)-4-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7497362
• LogD (pH = 7.4): 0.7498238
• Log P: 0.74982494
• Molar Refractivity: 92.1837 cm^3
• Polarizability: 30.767584 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.71
• LOG S: -2.06
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6