1-cyclohexyl-4-(1-ethyl-1H-pyrazole-4-carbonyl)piperazine

• ChemBase ID: 621497
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: c1(C(=O)N2CCN(CC2)C2CCCCC2)cn(nc1)CC
• Canonical SMILES: CCn1ncc(c1)C(=O)N1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C16H26N4O/c1-2-20-13-14(12-17-20)16(21)19-10-8-18(9-11-19)15-6-4-3-5-7-15/h12-13,15H,2-11H2,1H3
• InChIKey: FFGPSXWQNCYHEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-(1-ethyl-1H-pyrazole-4-carbonyl)piperazine
• IUPAC Traditional name: 1-cyclohexyl-4-(1-ethylpyrazole-4-carbonyl)piperazine
• Synonyms: 1-cyclohexyl-4-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7117534
• LogD (pH = 7.4): 1.0454007
• Log P: 1.7022964
• Molar Refractivity: 95.6461 cm^3
• Polarizability: 32.063038 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.31
• LOG S: -2.18
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2