N-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-(3-phenyl-1H-pyrazol-1-yl)acetamide

• ChemBase ID: 703812
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(n(ncc1)C1CCN(CC1)C)NC(=O)Cn1nc(cc1)c1ccccc1
• Canonical SMILES: CN1CCC(CC1)n1nccc1NC(=O)Cn1ccc(n1)c1ccccc1
• InChI: InChI=1S/C20H24N6O/c1-24-12-8-17(9-13-24)26-19(7-11-21-26)22-20(27)15-25-14-10-18(23-25)16-5-3-2-4-6-16/h2-7,10-11,14,17H,8-9,12-13,15H2,1H3,(H,22,27)
• InChIKey: DAPPBKGNNMBXQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-(3-phenyl-1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(3-phenylpyrazol-1-yl)acetamide
• Synonyms: N-[1-(1-methyl-4-piperidinyl)-1H-pyrazol-5-yl]-2-(3-phenyl-1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.0303335
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1390859
• LogD (pH = 7.4): 0.5646806
• Log P: 1.890424
• Molar Refractivity: 127.6953 cm^3
• Polarizability: 41.13801 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.9
• LOG S: -3.48
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5