Cas no 436088-86-7 (5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one)

5-Amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one is a heterocyclic compound featuring a pyrazolone core substituted with an amino group at the 5-position and a cyclohexyl moiety at the 1-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and agrochemicals. The cyclohexyl group enhances lipophilicity, potentially improving bioavailability in drug design, while the amino functionality offers a versatile site for further derivatization. Its stability under standard conditions and compatibility with common synthetic methodologies make it a practical choice for research and industrial applications. The compound's well-defined crystalline form ensures consistent purity and handling.
5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one structure
436088-86-7 structure
Product Name:5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one
CAS No:436088-86-7
MF:C9H15N3O
MW:181.234901666641
MDL:MFCD02855448
CID:335053
PubChem ID:740823
Update Time:2025-10-06

5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-1-cyclohexyl-1H-pyrazol-3-ol
    • 3-amino-2-cyclohexyl-1H-pyrazol-5-one
    • 3H-Pyrazol-3-one,5-amino-1-cyclohexyl-1,2-dihydro-
    • 5-amino-1-cyclohexyl-1H-pyrazol-3-ol(SALTDATA: FREE)
    • 5-amino-1-cyclohexylpyrazol-3-ol
    • WSKUESZJRGGBRL-UHFFFAOYSA-N
    • AKOS005625653
    • Oprea1_523914
    • BB 0237133
    • CHEMBL1884707
    • Oprea1_331004
    • SCHEMBL18692985
    • HMS2661O06
    • DTXSID20353429
    • 5-Amino-1-cyclohexyl-1H-pyrazol-3-ol, AldrichCPR
    • BB 0258840
    • FT-0676666
    • A872678
    • CS-0317818
    • Oprea1_006287
    • 1H-Pyrazol-3-ol, 5-amino-1-cyclohexyl-
    • 436088-86-7
    • ChemDiv2_001032
    • 5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one
    • EU-0077087
    • MFCD02855448
    • HMS1371O20
    • SMR000278137
    • AKOS005173868
    • MLS000716620
    • 5-amino-1-cyclohexyl-2H-pyrazol-3-one
    • STK843386
    • STL163917
    • MDL: MFCD02855448
    • Inchi: 1S/C9H15N3O/c10-8-6-9(13)11-12(8)7-4-2-1-3-5-7/h6-7H,1-5,10H2,(H,11,13)
    • InChI Key: WSKUESZJRGGBRL-UHFFFAOYSA-N
    • SMILES: O=C1C=C(N)N(C2CCCCC2)N1

Computed Properties

  • Exact Mass: 181.12200
  • Monoisotopic Mass: 181.121512110g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 243
  • 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: 1.2
  • Topological Polar Surface Area: 58.4?2

Experimental Properties

  • PSA: 64.07000
  • LogP: 2.25730

5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one Security Information

  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one Pricemore >>

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5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one Related Literature

Additional information on 5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one

Comprehensive Overview of 5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one (CAS No. 436088-86-7)

5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one, with the CAS number 436088-86-7, is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, often referred to by its systematic name, belongs to the pyrazolone class, which is known for its diverse biological activities. Researchers and industry professionals frequently search for terms like "pyrazolone derivatives", "amino-substituted pyrazolones", and "cyclohexyl pyrazolone applications", highlighting its relevance in modern science.

The structural uniqueness of 5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one lies in its cyclohexyl and amino functional groups, which contribute to its potential as a building block in drug discovery. Recent trends in AI-driven drug design and computational chemistry have increased interest in such compounds, as they are often explored for their molecular interactions and bioactivity profiles. Questions like "How does 5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one interact with enzymes?" or "What are the synthetic routes for this compound?" are commonly encountered in academic and industrial forums.

From a synthetic perspective, CAS 436088-86-7 is typically prepared through multi-step organic reactions involving cyclohexyl hydrazine and β-keto esters. The compound's amino group offers versatility for further derivatization, making it valuable for constructing more complex molecules. In the context of green chemistry, researchers are increasingly investigating eco-friendly synthesis methods for such intermediates, aligning with global sustainability goals.

Applications of 5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one extend to areas like medicinal chemistry, where it serves as a precursor for heterocyclic scaffolds. Its potential role in central nervous system (CNS) drug development has also been speculated, given the pharmacological properties of similar pyrazolone derivatives. Searches for "pyrazolone CNS activity" or "cyclohexyl-substituted drug candidates" reflect this growing curiosity.

Analytical characterization of CAS 436088-86-7 involves techniques such as NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods ensure the compound meets the stringent standards required for research and development. The demand for high-purity pyrazolone derivatives has risen, driven by advancements in high-throughput screening and fragment-based drug discovery.

In summary, 5-amino-1-cyclohexyl-1,2-dihydro-3H-pyrazol-3-one (436088-86-7) represents a promising candidate for interdisciplinary research. Its structural features and synthetic adaptability make it a subject of ongoing exploration, particularly in the realms of drug design, materials science, and biocatalysis. As the scientific community continues to uncover its potential, this compound is poised to remain a focal point in innovative chemical applications.

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