2-[4-(2-methoxypyridin-3-yl)-1H-pyrazol-1-yl]-N-[1-(pentan-3-yl)-1H-pyrazol-5-yl]acetamide

• ChemBase ID: 446794
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(n(ncc1)C(CC)CC)NC(=O)Cn1ncc(c1)c1c(nccc1)OC
• Canonical SMILES: CCC(n1nccc1NC(=O)Cn1ncc(c1)c1cccnc1OC)CC
• InChI: InChI=1S/C19H24N6O2/c1-4-15(5-2)25-17(8-10-21-25)23-18(26)13-24-12-14(11-22-24)16-7-6-9-20-19(16)27-3/h6-12,15H,4-5,13H2,1-3H3,(H,23,26)
• InChIKey: BUQBUIPQUJRVAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methoxypyridin-3-yl)-1H-pyrazol-1-yl]-N-[1-(pentan-3-yl)-1H-pyrazol-5-yl]acetamide
• IUPAC Traditional name: 2-[4-(2-methoxypyridin-3-yl)pyrazol-1-yl]-N-[2-(pentan-3-yl)pyrazol-3-yl]acetamide
• Synonyms: N-[1-(1-ethylpropyl)-1H-pyrazol-5-yl]-2-[4-(2-methoxypyridin-3-yl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.030955
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.514728
• LogD (pH = 7.4): 2.5153008
• Log P: 2.515309
• Molar Refractivity: 125.4514 cm^3
• Polarizability: 40.125473 Å^3
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.48
• LOG S: -4.0
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 8