2-(morpholin-4-yl)-1-[4-(1H-pyrazol-3-yl)phenyl]ethan-1-ol

• ChemBase ID: 863502
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1c(cc[nH]1)c1ccc(C(CN2CCOCC2)O)cc1
• Canonical SMILES: OC(c1ccc(cc1)c1cc[nH]n1)CN1CCOCC1
• InChI: InChI=1S/C15H19N3O2/c19-15(11-18-7-9-20-10-8-18)13-3-1-12(2-4-13)14-5-6-16-17-14/h1-6,15,19H,7-11H2,(H,16,17)
• InChIKey: BGFMPQKIEIFBMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1-[4-(1H-pyrazol-3-yl)phenyl]ethan-1-ol
• IUPAC Traditional name: 2-(morpholin-4-yl)-1-[4-(1H-pyrazol-3-yl)phenyl]ethanol
• Synonyms: 2-(4-morpholinyl)-1-[4-(1H-pyrazol-3-yl)phenyl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.980402
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.11516012
• LogD (pH = 7.4): 1.3121164
• Log P: 1.4030669
• Molar Refractivity: 78.0893 cm^3
• Polarizability: 31.241484 Å^3
• Polar Surface Area: 61.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.37
• LOG S: -1.35
• Polar Surface Area: 61.38 Å^2
• Rotatable Bonds: 4