ethyl 4-[1-(propan-2-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate

• ChemBase ID: 764287
• Molecular Formular: C15H24N4O3
• Molecular Mass: 308.37606
• Monoisotopic Mass: 308.18484065
• SMILES: c1(cn(nc1)C(C)C)C(=O)NC1CCN(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC(=O)c1cnn(c1)C(C)C
• InChI: InChI=1S/C15H24N4O3/c1-4-22-15(21)18-7-5-13(6-8-18)17-14(20)12-9-16-19(10-12)11(2)3/h9-11,13H,4-8H2,1-3H3,(H,17,20)
• InChIKey: ZYONEGLJHRMSOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-[1-(propan-2-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-(1-isopropylpyrazole-4-amido)piperidine-1-carboxylate
• Synonyms: ethyl 4-{[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]amino}-1-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.520552
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.47859254
• LogD (pH = 7.4): 0.47860432
• Log P: 0.47860476
• Molar Refractivity: 94.1984 cm^3
• Polarizability: 31.386566 Å^3
• Polar Surface Area: 76.46 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: 0.74
• LOG S: -2.08
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5