N-[1-(cyclohexylmethyl)-1H-pyrazol-5-yl]-2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 580378
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(n(ncc1)CC1CCCCC1)NC(=O)Cn1nc(cc1)c1ncccc1
• Canonical SMILES: O=C(Nc1ccnn1CC1CCCCC1)Cn1ccc(n1)c1ccccn1
• InChI: InChI=1S/C20H24N6O/c27-20(15-25-13-10-18(24-25)17-8-4-5-11-21-17)23-19-9-12-22-26(19)14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2,(H,23,27)
• InChIKey: PJIONLQKJSLCPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.0523205
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1459715
• LogD (pH = 7.4): 3.1460767
• Log P: 3.146079
• Molar Refractivity: 125.4603 cm^3
• Polarizability: 40.560608 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.4
• LOG S: -4.76
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 6