Cas no 1020503-30-3 (1-{[3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine)

1-{[3,5-Dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine is a specialized sulfonyl-containing heterocyclic compound with potential applications in medicinal chemistry and agrochemical research. Its structure features a pyrazole core functionalized with a 4-nitrobenzoyl group and a 4-methylpiperidine sulfonyl moiety, offering unique reactivity and binding properties. The presence of electron-withdrawing and sterically defined substituents enhances its suitability as an intermediate in the synthesis of biologically active molecules. This compound may exhibit selective interactions with enzymatic targets due to its distinct sulfonamide linkage and aromatic nitro group. Its well-defined molecular architecture allows for precise modifications, making it valuable for structure-activity relationship studies in drug discovery and chemical biology.
1-{[3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine structure
1020503-30-3 structure
Product Name:1-{[3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine
CAS No:1020503-30-3
MF:C18H22N4O5S
MW:406.456082820892
CID:6398337
PubChem ID:27452972
Update Time:2025-05-26

1-{[3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine Chemical and Physical Properties

Names and Identifiers

    • 1-{[3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine
    • [3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-(4-nitrophenyl)methanone
    • (3,5-dimethyl-4-((4-methylpiperidin-1-yl)sulfonyl)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
    • 1020503-30-3
    • F2065-0306
    • AKOS021612933
    • Inchi： 1S/C18H22N4O5S/c1-12-8-10-20(11-9-12)28(26,27)17-13(2)19-21(14(17)3)18(23)15-4-6-16(7-5-15)22(24)25/h4-7,12H,8-11H2,1-3H3
    • InChI Key： OBBBYCSQSKYAHK-UHFFFAOYSA-N
    • SMILES： C(N1C(C)=C(S(N2CCC(C)CC2)(=O)=O)C(C)=N1)(C1=CC=C([N+]([O-])=O)C=C1)=O

Computed Properties

  • Exact Mass: 406.13109099g/mol
  • Monoisotopic Mass: 406.13109099g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 688
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 127?2

1-{[3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Life Chemicals
F2065-0306-1mg
1-{[3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine
 1020503-30-3 90%+
1mg
 $54.0 2023-05-16

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