N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-2-[3-(3-methylpyrazin-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 693892
• Molecular Formular: C19H18N8O
• Molecular Mass: 374.39922
• Monoisotopic Mass: 374.16035724
• SMILES: c1(cc(nn1C)c1ncccc1)NC(=O)Cn1nc(c2nccnc2C)cc1
• Canonical SMILES: O=C(Nc1cc(nn1C)c1ccccn1)Cn1ccc(n1)c1nccnc1C
• InChI: InChI=1S/C19H18N8O/c1-13-19(22-9-8-20-13)15-6-10-27(25-15)12-18(28)23-17-11-16(24-26(17)2)14-5-3-4-7-21-14/h3-11H,12H2,1-2H3,(H,23,28)
• InChIKey: BDGAVNLYRYTNJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-2-[3-(3-methylpyrazin-2-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-[2-methyl-5-(pyridin-2-yl)pyrazol-3-yl]-2-[3-(3-methylpyrazin-2-yl)pyrazol-1-yl]acetamide
• Synonyms: 2-[3-(3-methylpyrazin-2-yl)-1H-pyrazol-1-yl]-N-(1-methyl-3-pyridin-2-yl-1H-pyrazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.960743
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1467053
• LogD (pH = 7.4): 1.1467454
• Log P: 1.1467471
• Molar Refractivity: 124.3852 cm^3
• Polarizability: 41.17653 Å^3
• Polar Surface Area: 103.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.0
• LOG S: -2.78
• Polar Surface Area: 103.41 Å^2
• Rotatable Bonds: 5