Cas no 436088-85-6 (5-amino-1-sec-butyl-1h-pyrazol-3-ol)

5-Amino-1-sec-butyl-1H-pyrazol-3-ol is a pyrazole derivative with a versatile structure, featuring both amino and hydroxyl functional groups. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its sec-butyl substituent enhances lipophilicity, potentially improving bioavailability in drug design. The presence of reactive sites at the 3- and 5-positions allows for selective modifications, enabling tailored applications in heterocyclic chemistry. The compound’s stability under standard conditions and compatibility with common synthetic methodologies make it a practical choice for research and industrial applications. Its structural features contribute to its utility in constructing complex molecular frameworks.
5-amino-1-sec-butyl-1h-pyrazol-3-ol structure
436088-85-6 structure
Product Name:5-amino-1-sec-butyl-1h-pyrazol-3-ol
CAS No:436088-85-6
MF:C7H13N3O
MW:155.197621107101
CID:929074
PubChem ID:649343
Update Time:2025-10-29

5-amino-1-sec-butyl-1h-pyrazol-3-ol Chemical and Physical Properties

Names and Identifiers

    • 5-amino-1-sec-butyl-1h-pyrazol-3-ol
    • 3-amino-2-butan-2-yl-1H-pyrazol-5-one
    • 5-amino-1-(butan-2-yl)-1H-pyrazol-3-ol
    • MLS000073150
    • CS-0323167
    • DTXSID70349478
    • SMR000011609
    • SCHEMBL17175797
    • 436088-85-6
    • HMS2478P15
    • BAS 02913149
    • Oprea1_791652
    • FS-1965
    • AKOS000590989
    • 5-amino-1-sec-butyl-3-pyrazolin-3-one
    • BDBM39895
    • Oprea1_771895
    • STK801762
    • Oprea1_684527
    • 5-Amino-1-(sec-butyl)-1H-pyrazol-3-ol
    • 3-azanyl-2-butan-2-yl-1H-pyrazol-5-one
    • cid_649343
    • BBL029771
    • AKOS017417230
    • CHEMBL1464700
    • MDL: MFCD02855445
    • Inchi: 1S/C7H13N3O/c1-3-5(2)10-6(8)4-7(11)9-10/h4-5H,3,8H2,1-2H3,(H,9,11)
    • InChI Key: RXDUGOJOOXUICD-UHFFFAOYSA-N
    • SMILES: O=C1C=C(N)N(C(C)CC)N1

Computed Properties

  • Exact Mass: 155.10600
  • Monoisotopic Mass: 155.105862047g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 58.4?2

Experimental Properties

  • PSA: 64.07000
  • LogP: 1.72310

5-amino-1-sec-butyl-1h-pyrazol-3-ol Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-amino-1-sec-butyl-1h-pyrazol-3-ol Pricemore >>

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5-amino-1-sec-butyl-1h-pyrazol-3-ol Related Literature

Additional information on 5-amino-1-sec-butyl-1h-pyrazol-3-ol

Introduction to 5-amino-1-sec-butyl-1H-pyrazol-3-ol (CAS No. 436088-85-6)

5-amino-1-sec-butyl-1H-pyrazol-3-ol, identified by its Chemical Abstracts Service (CAS) number 436088-85-6, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrazole class, a structurally versatile scaffold that is widely recognized for its biological activity and potential therapeutic applications. The presence of both amino and hydroxyl functional groups, along with a sec-butyl substituent, contributes to its unique chemical properties and reactivity, making it a valuable intermediate in the synthesis of more complex molecules.

The pyrazole core is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 5. This arrangement imparts a significant degree of stability while also allowing for diverse functionalization. The amino group at position 1 and the hydroxyl group at position 3 further enhance the compound's reactivity, enabling it to participate in various chemical transformations such as condensation reactions, nucleophilic substitutions, and metal coordination. The sec-butyl group at position 1 provides steric hindrance and may influence the compound's solubility and metabolic stability, which are critical factors in drug design.

In recent years, there has been growing interest in pyrazole derivatives due to their broad spectrum of biological activities. Studies have demonstrated that these compounds exhibit antimicrobial, anti-inflammatory, anticancer, and anti-diabetic properties. The 5-amino-1-sec-butyl-1H-pyrazol-3-ol structure has been explored as a potential lead compound in several drug discovery programs. Its ability to interact with biological targets such as enzymes and receptors makes it a promising candidate for further development.

One of the most compelling aspects of 5-amino-1-sec-butyl-1H-pyrazol-3-ol is its role as a building block in the synthesis of more complex pharmacophores. Researchers have utilized this compound to develop novel inhibitors targeting various therapeutic pathways. For instance, modifications of the pyrazole ring have been shown to enhance binding affinity to enzymes involved in metabolic disorders. Additionally, the introduction of different substituents at various positions on the pyrazole ring has allowed for fine-tuning of pharmacokinetic properties, including bioavailability and half-life.

The sec-butyl group, in particular, has been investigated for its impact on molecular interactions. This substituent can influence both the electronic properties of the molecule and its spatial orientation in biological environments. By adjusting the length and nature of alkyl chains attached to nitrogen or carbon atoms in the pyrazole ring, chemists can modulate binding affinities and selectivity profiles. Such modifications are crucial for developing drugs with improved efficacy and reduced side effects.

Recent advancements in computational chemistry have further accelerated the discovery process for compounds like 5-amino-1-sec-butyl-1H-pyrazol-3-ol. Molecular modeling techniques have enabled researchers to predict how different structural variations will affect biological activity. These predictions are often validated through experimental studies, where synthetic analogs are prepared and tested for their biological effects. The integration of computational methods with traditional wet chemistry approaches has significantly sped up the drug discovery pipeline.

The synthesis of 5-amino-1-sec-butyl-1H-pyrazol-3-ol typically involves multi-step organic reactions starting from commercially available precursors. Key steps often include condensation reactions to form the pyrazole ring, followed by functional group transformations such as alkylation or hydroxylation. Advances in synthetic methodologies have allowed for more efficient and scalable production processes, making it feasible to produce larger quantities of this compound for research purposes.

In addition to its pharmaceutical applications, 5-amino-1-sec-butyl-1H-pyrazol-3-ol has shown promise in materials science. Its ability to coordinate with metal ions makes it useful in designing metal organic frameworks (MOFs) or as a ligand in catalytic systems. These materials have potential applications in gas storage, separation technologies, and catalysis.

The future directions for research on 5-amino-1-sec-butyl-1H-pyrazol-3-ol are multifaceted. One area of focus is exploring its derivatives as leads for new drug candidates targeting emerging diseases or resistant strains of pathogens. Another avenue is investigating its role in nanotechnology applications, where its structural features could be exploited to design novel nanomaterials with specific functionalities.

Overall,5-amino-[email?protected]-(CAS No: 43608885[...]

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