N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)-2-[4-(3-methoxypyrazin-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 595492
• Molecular Formular: C18H23N7O2
• Molecular Mass: 369.42092
• Monoisotopic Mass: 369.19132301
• SMILES: c1(c(c(nn1C)CC)CC)NC(=O)Cn1ncc(c1)c1c(nccn1)OC
• Canonical SMILES: CCc1c(CC)nn(c1NC(=O)Cn1ncc(c1)c1nccnc1OC)C
• InChI: InChI=1S/C18H23N7O2/c1-5-13-14(6-2)23-24(3)17(13)22-15(26)11-25-10-12(9-21-25)16-18(27-4)20-8-7-19-16/h7-10H,5-6,11H2,1-4H3,(H,22,26)
• InChIKey: YCKGAYTXLGYZDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)-2-[4-(3-methoxypyrazin-2-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[4-(3-methoxypyrazin-2-yl)pyrazol-1-yl]acetamide
• Synonyms: N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)-2-[4-(3-methoxypyrazin-2-yl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.536647
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6544912
• LogD (pH = 7.4): 1.6549492
• Log P: 1.6549553
• Molar Refractivity: 123.5677 cm^3
• Polarizability: 39.094894 Å^3
• Polar Surface Area: 99.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.65
• LOG S: -2.45
• Polar Surface Area: 99.75 Å^2
• Rotatable Bonds: 7