N-[1-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide

• ChemBase ID: 570294
• Molecular Formular: C14H24N4O3S
• Molecular Mass: 328.43036
• Monoisotopic Mass: 328.15691165
• SMILES: c1(C(=O)N2CCC(NS(=O)(=O)C)CC2)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)N1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C14H24N4O3S/c1-4-7-18-11(2)13(10-15-18)14(19)17-8-5-12(6-9-17)16-22(3,20)21/h10,12,16H,4-9H2,1-3H3
• InChIKey: MIMQNYGFFHAJQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
• IUPAC Traditional name: N-[1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
• Synonyms: N-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.524104
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.69699115
• LogD (pH = 7.4): -0.6969763
• Log P: -0.6969468
• Molar Refractivity: 96.6821 cm^3
• Polarizability: 32.896996 Å^3
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.35
• LOG S: -2.61
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 4