N-[1-(cyclopropylmethyl)-1H-pyrazol-5-yl]-2-[4-(6-methoxypyridin-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 720381
• Molecular Formular: C18H20N6O2
• Molecular Mass: 352.3904
• Monoisotopic Mass: 352.16477391
• SMILES: c1(n(ncc1)CC1CC1)NC(=O)Cn1ncc(c1)c1nc(OC)ccc1
• Canonical SMILES: COc1cccc(n1)c1cnn(c1)CC(=O)Nc1ccnn1CC1CC1
• InChI: InChI=1S/C18H20N6O2/c1-26-18-4-2-3-15(21-18)14-9-20-23(11-14)12-17(25)22-16-7-8-19-24(16)10-13-5-6-13/h2-4,7-9,11,13H,5-6,10,12H2,1H3,(H,22,25)
• InChIKey: XDOLOMAMCMWVJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclopropylmethyl)-1H-pyrazol-5-yl]-2-[4-(6-methoxypyridin-2-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[4-(6-methoxypyridin-2-yl)pyrazol-1-yl]acetamide
• Synonyms: N-[1-(cyclopropylmethyl)-1H-pyrazol-5-yl]-2-[4-(6-methoxypyridin-2-yl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.0523205
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.863155
• LogD (pH = 7.4): 1.863306
• Log P: 1.8633089
• Molar Refractivity: 118.806 cm^3
• Polarizability: 37.559994 Å^3
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.32
• LOG S: -3.75
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 7