1-(1-methyl-1H-pyrazole-4-carbonyl)-4-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 665114
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c1(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cn(nc1)C
• Canonical SMILES: O=C(N1CCCC1)C1CCN(CC1)C(=O)c1cnn(c1)C
• InChI: InChI=1S/C15H22N4O2/c1-17-11-13(10-16-17)15(21)19-8-4-12(5-9-19)14(20)18-6-2-3-7-18/h10-12H,2-9H2,1H3
• InChIKey: UNPHRSIPIXOGHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methyl-1H-pyrazole-4-carbonyl)-4-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-(1-methylpyrazole-4-carbonyl)-4-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.18159823
• LogD (pH = 7.4): -0.18158425
• Log P: -0.18158408
• Molar Refractivity: 91.3717 cm^3
• Polarizability: 29.943214 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.76
• LOG S: -1.98
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2