4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carbonyl]morpholine

• ChemBase ID: 671887
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(c([nH]nc1C)C)c1ncc(C(=O)N2CCOCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)c1c(C)n[nH]c1C)N1CCOCC1
• InChI: InChI=1S/C15H18N4O2/c1-10-14(11(2)18-17-10)13-4-3-12(9-16-13)15(20)19-5-7-21-8-6-19/h3-4,9H,5-8H2,1-2H3,(H,17,18)
• InChIKey: BZFLBSMRKJARBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carbonyl]morpholine
• Synonyms: 4-{[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.311075
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5016742
• LogD (pH = 7.4): 0.50323653
• Log P: 0.50325656
• Molar Refractivity: 80.0402 cm^3
• Polarizability: 30.881042 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.26
• LOG S: -2.38
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 2