2-[3-(2,5-dimethylfuran-3-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

• ChemBase ID: 437672
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: c1(c2nn(CC(=O)Nc3n(ncc3)C)cc2)c(oc(c1)C)C
• Canonical SMILES: O=C(Nc1ccnn1C)Cn1ccc(n1)c1cc(oc1C)C
• InChI: InChI=1S/C15H17N5O2/c1-10-8-12(11(2)22-10)13-5-7-20(18-13)9-15(21)17-14-4-6-16-19(14)3/h4-8H,9H2,1-3H3,(H,17,21)
• InChIKey: MDORLUMSTHHPRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2,5-dimethylfuran-3-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide
• IUPAC Traditional name: 2-[3-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide
• Synonyms: 2-[3-(2,5-dimethyl-3-furyl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.07724
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4028591
• LogD (pH = 7.4): 1.4029835
• Log P: 1.402986
• Molar Refractivity: 105.057 cm^3
• Polarizability: 31.53801 Å^3
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.71
• LOG S: -2.85
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 4