N-(3-methoxyphenyl)-5-(1H-pyrazol-3-yl)furan-2-carboxamide

• ChemBase ID: 833953
• Molecular Formular: C15H13N3O3
• Molecular Mass: 283.28202
• Monoisotopic Mass: 283.09569129
• SMILES: c1(oc(c2n[nH]cc2)cc1)C(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)c1ccc(o1)c1n[nH]cc1
• InChI: InChI=1S/C15H13N3O3/c1-20-11-4-2-3-10(9-11)17-15(19)14-6-5-13(21-14)12-7-8-16-18-12/h2-9H,1H3,(H,16,18)(H,17,19)
• InChIKey: HMMBPWVQGFRCTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-5-(1H-pyrazol-3-yl)furan-2-carboxamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-5-(1H-pyrazol-3-yl)furan-2-carboxamide
• Synonyms: N-(3-methoxyphenyl)-5-(1H-pyrazol-3-yl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.07579
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2249565
• LogD (pH = 7.4): 2.2248795
• Log P: 2.2249668
• Molar Refractivity: 78.7747 cm^3
• Polarizability: 30.099777 Å^3
• Polar Surface Area: 80.15 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: 2.4
• LOG S: -3.32
• Polar Surface Area: 80.15 Å^2
• Rotatable Bonds: 4