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

• ChemBase ID: 786831
• Molecular Formular: C19H23N7O
• Molecular Mass: 365.43222
• Monoisotopic Mass: 365.19640839
• SMILES: c1(n(ncc1)C1CCCCC1)NC(=O)Cn1nc(c2nccnc2C)cc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCCCC1)Cn1ccc(n1)c1nccnc1C
• InChI: InChI=1S/C19H23N7O/c1-14-19(21-11-10-20-14)16-8-12-25(24-16)13-18(27)23-17-7-9-22-26(17)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,23,27)
• InChIKey: ZISPCXHWJBCGCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.6
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 1
• Log P: 2.03

JChem

• Molar Refractivity: 123.1641 cm^3
• Polarizability: 39.594723 Å^3
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.030843
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7446766
• LogD (pH = 7.4): 1.744762
• Log P: 1.744764