N-{1-[1-(carbamoylmethyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

• ChemBase ID: 374819
• Molecular Formular: C14H21N5O2
• Molecular Mass: 291.34884
• Monoisotopic Mass: 291.16952494
• SMILES: c1(n(ncc1)C1CCN(CC(=O)N)CC1)NC(=O)C1CC1
• Canonical SMILES: NC(=O)CN1CCC(CC1)n1nccc1NC(=O)C1CC1
• InChI: InChI=1S/C14H21N5O2/c15-12(20)9-18-7-4-11(5-8-18)19-13(3-6-16-19)17-14(21)10-1-2-10/h3,6,10-11H,1-2,4-5,7-9H2,(H2,15,20)(H,17,21)
• InChIKey: NHUZMXMJODJLOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(carbamoylmethyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{2-[1-(carbamoylmethyl)piperidin-4-yl]pyrazol-3-yl}cyclopropanecarboxamide
• Synonyms: N-{1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.43928
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4617944
• LogD (pH = 7.4): -0.9932142
• Log P: -0.7942497
• Molar Refractivity: 89.8348 cm^3
• Polarizability: 29.834602 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: 4
• H Donor: 2
• Log P: -0.65
• LOG S: -2.08
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 5