N-(1-cyclopentyl-1H-pyrazol-5-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 677937
• Molecular Formular: C17H24N6O
• Molecular Mass: 328.41206
• Monoisotopic Mass: 328.20115942
• SMILES: c1(NC(=O)N2CC(c3n[nH]cc3)CCC2)n(ncc1)C1CCCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1n[nH]cc1)Nc1ccnn1C1CCCC1
• InChI: InChI=1S/C17H24N6O/c24-17(20-16-8-10-19-23(16)14-5-1-2-6-14)22-11-3-4-13(12-22)15-7-9-18-21-15/h7-10,13-14H,1-6,11-12H2,(H,18,21)(H,20,24)
• InChIKey: IASXXXQEHHYKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopentyl-1H-pyrazol-5-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-cyclopentylpyrazol-3-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(1-cyclopentyl-1H-pyrazol-5-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.182975
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.05763
• LogD (pH = 7.4): 2.057777
• Log P: 2.0577796
• Molar Refractivity: 103.8821 cm^3
• Polarizability: 34.611458 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.68
• LOG S: -3.03
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 3