N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-cyclopropanecarbonylpiperidine-4-carboxamide

• ChemBase ID: 851373
• Molecular Formular: C15H21ClN4O2
• Molecular Mass: 324.80584
• Monoisotopic Mass: 324.13530361
• SMILES: C(=O)(N1CCC(C(=O)NCCn2ncc(c2)Cl)CC1)C1CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CC1)NCCn1ncc(c1)Cl
• InChI: InChI=1S/C15H21ClN4O2/c16-13-9-18-20(10-13)8-5-17-14(21)11-3-6-19(7-4-11)15(22)12-1-2-12/h9-12H,1-8H2,(H,17,21)
• InChIKey: ARBMZDMIRQDIHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-cyclopropanecarbonylpiperidine-4-carboxamide
• IUPAC Traditional name: N-[2-(4-chloropyrazol-1-yl)ethyl]-1-cyclopropanecarbonylpiperidine-4-carboxamide
• Synonyms: N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(cyclopropylcarbonyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.687928
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5203149
• LogD (pH = 7.4): 0.52032954
• Log P: 0.5203297
• Molar Refractivity: 94.5565 cm^3
• Polarizability: 32.17168 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.52
• LOG S: -2.01
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5