1-methyl-3-propyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]-1H-pyrazole-5-carboxamide

• ChemBase ID: 682416
• Molecular Formular: C14H24N4O3S
• Molecular Mass: 328.43036
• Monoisotopic Mass: 328.15691165
• SMILES: c1(n(nc(c1)CCC)C)C(=O)NCCS(=O)(=O)N1CCCC1
• Canonical SMILES: CCCc1cc(n(n1)C)C(=O)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C14H24N4O3S/c1-3-6-12-11-13(17(2)16-12)14(19)15-7-10-22(20,21)18-8-4-5-9-18/h11H,3-10H2,1-2H3,(H,15,19)
• InChIKey: MOOSWCPQRARGFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-propyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 2-methyl-5-propyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]pyrazole-3-carboxamide
• Synonyms: 1-methyl-3-propyl-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.426753
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.029630324
• LogD (pH = 7.4): -0.029538808
• Log P: -0.029537605
• Molar Refractivity: 96.1895 cm^3
• Polarizability: 32.896717 Å^3
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.49
• LOG S: -2.01
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 6