(5-{1-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}furan-2-yl)methanol

• ChemBase ID: 663112
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(c2oc(cc2)CO)n(ccn1)CCc1cn(nc1)c1ccccc1
• Canonical SMILES: OCc1ccc(o1)c1nccn1CCc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C19H18N4O2/c24-14-17-6-7-18(25-17)19-20-9-11-22(19)10-8-15-12-21-23(13-15)16-4-2-1-3-5-16/h1-7,9,11-13,24H,8,10,14H2
• InChIKey: IIZIJDXWPOSDDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{1-[2-(1-phenylpyrazol-4-yl)ethyl]imidazol-2-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705867
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3274908
• LogD (pH = 7.4): 2.4138277
• Log P: 2.415073
• Molar Refractivity: 105.8247 cm^3
• Polarizability: 36.938408 Å^3
• Polar Surface Area: 69.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.2
• LOG S: -2.66
• Polar Surface Area: 69.01 Å^2
• Rotatable Bonds: 6