2-[4-(4-aminophenyl)-1H-pyrazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 799531
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: C(=O)(Cn1ncc(c1)c1ccc(cc1)N)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)Cn1ncc(c1)c1ccc(cc1)N
• InChI: InChI=1S/C15H18N4O2/c16-14-3-1-12(2-4-14)13-9-17-19(10-13)11-15(20)18-5-7-21-8-6-18/h1-4,9-10H,5-8,11,16H2
• InChIKey: YDQBJNGLAPHMEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-aminophenyl)-1H-pyrazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 2-[4-(4-aminophenyl)pyrazol-1-yl]-1-(morpholin-4-yl)ethanone
• Synonyms: 2-(4-(4-aminophenyl)-1H-pyrazol-1-yl)-1-morpholinoethanone

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.113662936
• LogD (pH = 7.4): 0.11922626
• Log P: 0.11929765
• Molar Refractivity: 91.5727 cm^3
• Polarizability: 31.437317 Å^3
• Polar Surface Area: 73.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%