N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)cyclopentanecarboxamide

• ChemBase ID: 466969
• Molecular Formular: C20H30N6O
• Molecular Mass: 370.4918
• Monoisotopic Mass: 370.24810961
• SMILES: c1(n(ncc1)C1CCN(Cc2cn(nc2)CC)CC1)NC(=O)C1CCCC1
• Canonical SMILES: CCn1ncc(c1)CN1CCC(CC1)n1nccc1NC(=O)C1CCCC1
• InChI: InChI=1S/C20H30N6O/c1-2-25-15-16(13-22-25)14-24-11-8-18(9-12-24)26-19(7-10-21-26)23-20(27)17-5-3-4-6-17/h7,10,13,15,17-18H,2-6,8-9,11-12,14H2,1H3,(H,23,27)
• InChIKey: QDYMTTIXUFCCET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
• IUPAC Traditional name: N-(2-{1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl}pyrazol-3-yl)cyclopentanecarboxamide
• Synonyms: N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.441432
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.43780872
• LogD (pH = 7.4): 1.3123528
• Log P: 1.932988
• Molar Refractivity: 129.3946 cm^3
• Polarizability: 40.42807 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.65
• LOG S: -4.98
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5