N3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 638546
• Molecular Formular: C15H24ClN5O2
• Molecular Mass: 341.83636
• Monoisotopic Mass: 341.16185271
• SMILES: n1n(c(c(c1C)Cl)C)CCCNC(=O)C1CN(C(=O)N)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCCn1nc(c(c1C)Cl)C
• InChI: InChI=1S/C15H24ClN5O2/c1-10-13(16)11(2)21(19-10)8-4-6-18-14(22)12-5-3-7-20(9-12)15(17)23/h12H,3-9H2,1-2H3,(H2,17,23)(H,18,22)
• InChIKey: JICOURDDJJTKIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.824659
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.046761196
• LogD (pH = 7.4): -0.04622025
• Log P: -0.046213336
• Molar Refractivity: 100.2866 cm^3
• Polarizability: 33.890724 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.1
• LOG S: -3.09
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 5