N-(1,3-dimethyl-1H-pyrazol-5-yl)-2-[3-(furan-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 528311
• Molecular Formular: C14H15N5O2
• Molecular Mass: 285.3012
• Monoisotopic Mass: 285.12257475
• SMILES: c1(n(nc(c1)C)C)NC(=O)Cn1nc(cc1)c1occc1
• Canonical SMILES: O=C(Nc1cc(nn1C)C)Cn1ccc(n1)c1ccco1
• InChI: InChI=1S/C14H15N5O2/c1-10-8-13(18(2)16-10)15-14(20)9-19-6-5-11(17-19)12-4-3-7-21-12/h3-8H,9H2,1-2H3,(H,15,20)
• InChIKey: BSOUGCGJOFRJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.067151
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0545564
• LogD (pH = 7.4): 1.0552253
• Log P: 1.0552347
• Molar Refractivity: 99.2266 cm^3
• Polarizability: 29.779484 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: 1.49
• LOG S: -2.56
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 4