N-{1-[1-(1-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

• ChemBase ID: 637847
• Molecular Formular: C17H22N6O2
• Molecular Mass: 342.39558
• Monoisotopic Mass: 342.18042397
• SMILES: c1(n(ncc1)C1CCN(C(=O)c2cn(nc2)C)CC1)NC(=O)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccnn1C1CCN(CC1)C(=O)c1cnn(c1)C
• InChI: InChI=1S/C17H22N6O2/c1-21-11-13(10-19-21)17(25)22-8-5-14(6-9-22)23-15(4-7-18-23)20-16(24)12-2-3-12/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,20,24)
• InChIKey: KVMUNDOOQNUVIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(1-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{2-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl}cyclopropanecarboxamide
• Synonyms: N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl}-1H-pyrazol-5-yl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.441411
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.04355046
• LogD (pH = 7.4): 0.04363695
• Log P: 0.043638434
• Molar Refractivity: 115.7731 cm^3
• Polarizability: 34.518543 Å^3
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.85
• LOG S: -2.28
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 4