N-(2-fluorophenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide

• ChemBase ID: 691464
• Molecular Formular: C14H10FN3O2
• Molecular Mass: 271.2465032
• Monoisotopic Mass: 271.0757048
• SMILES: c1(oc(C(=O)Nc2c(F)cccc2)cc1)c1c[nH]nc1
• Canonical SMILES: O=C(c1ccc(o1)c1c[nH]nc1)Nc1ccccc1F
• InChI: InChI=1S/C14H10FN3O2/c15-10-3-1-2-4-11(10)18-14(19)13-6-5-12(20-13)9-7-16-17-8-9/h1-8H,(H,16,17)(H,18,19)
• InChIKey: BHACJRGZTSQZFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• IUPAC Traditional name: N-(2-fluorophenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• Synonyms: N-(2-fluorophenyl)-5-(1H-pyrazol-4-yl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.929199
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1394315
• LogD (pH = 7.4): 2.1382582
• Log P: 2.1394897
• Molar Refractivity: 72.8999 cm^3
• Polarizability: 27.251944 Å^3
• Polar Surface Area: 70.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.92
• LOG S: -2.82
• Polar Surface Area: 70.92 Å^2
• Rotatable Bonds: 3