Cas no 74530-10-2 (3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl-)

3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl- structure
74530-10-2 structure
Product Name:3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl-
CAS No:74530-10-2
MF:C4H7N3O
MW:113.117880105972
MDL:MFCD19203571
CID:4168140
PubChem ID:12746990
Update Time:2025-04-24

3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl-
    • 5-amino-2-methyl-1H-pyrazol-3(2H)-one
    • 5-amino-2-methyl-1,2-dihydro-3H-pyrazol-3-one
    • 1-methyl-3-amino-5-pyrazolone
    • MFCD18909318
    • SCHEMBL12569915
    • DTXSID90508762
    • G89893
    • SCHEMBL6645490
    • 54235-29-9
    • DS-6704
    • AKOS006338159
    • STL301761
    • AKOS015901523
    • 5-AMINO-2-METHYL-1H-PYRAZOL-3-ONE
    • 3-amino-1-methyl-1H-pyrazol-5-ol
    • YGVFIVSNVVUSCS-UHFFFAOYSA-N
    • 5-amino-2-methyl-1,2-dihydropyrazol-3-one
    • 74530-10-2
    • DTXCID50459569
    • MDL: MFCD19203571
    • Inchi: 1S/C4H7N3O/c1-7-4(8)2-3(5)6-7/h2,6H,5H2,1H3
    • InChI Key: YGVFIVSNVVUSCS-UHFFFAOYSA-N
    • SMILES: O=C1C=C(N)NN1C

Computed Properties

  • Exact Mass: 113.058911855g/mol
  • Monoisotopic Mass: 113.058911855g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 151
  • 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: -0.6
  • Topological Polar Surface Area: 58.4?2

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Additional information on 3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl-

3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl-: A Comprehensive Overview

The compound 3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl- (CAS No. 74530-10-2) is a highly specialized chemical entity that has garnered significant attention in the field of medicinal chemistry and pharmaceutical research. This compound belongs to the class of pyrazolones, which are known for their diverse biological activities and potential applications in drug development.

Pyrazolones are heterocyclic compounds characterized by a five-membered ring containing one nitrogen atom and one oxygen atom in the form of a ketone group. The 3H-Pyrazol-3-one core structure is particularly interesting due to its unique electronic properties and ability to participate in various chemical reactions, making it a valuable building block for designing bioactive molecules.

One of the key features of 5-amino-1,2-dihydro-2-methyl-3H-pyrazol-3-one is the presence of an amino group at position 5 and a methyl substituent at position 2. These functional groups significantly influence the compound's pharmacokinetics, bioavailability, and interactions with biological targets. Recent studies have focused on optimizing these substituents to enhance the compound's therapeutic potential while minimizing off-target effects.

Research into 3H-Pyrazol-3-one derivatives has revealed their promising activity in various biomedical fields. For instance, these compounds have shown significant anti-inflammatory, antioxidant, and anticancer properties. The amino group at position 5 plays a critical role in modulating the compound's reactivity and selectivity, making it a valuable candidate for developing drugs targeting chronic inflammatory diseases and cancer.

One of the most exciting developments in the study of CAS No. 74530-10-2 is its potential as a scaffold for designing kinase inhibitors. Kinase inhibitors are a cornerstone in the treatment of various cancers, and the ability of pyrazolone derivatives to inhibit specific kinases has been extensively explored. Recent advancements have demonstrated that modifying the methyl group at position 2 can significantly enhance the compound's binding affinity to target kinases, leading to improved therapeutic outcomes.

Another area of active research is the investigation of 3H-Pyrazol-3-one as a potential neuroprotective agent. Neurodegenerative diseases, such as Alzheimer's and Parkinson's, are characterized by oxidative stress and inflammation, which can be mitigated by compounds with strong antioxidant and anti-inflammatory properties. Studies have shown that 5-amino-1,2-dihydro-2-methyl-3H-pyrazol-3-one exhibits potent neuroprotective effects in vitro and in animal models, making it a promising candidate for developing new treatments for these debilitating conditions.

Furthermore, the compound's ability to cross the blood-brain barrier (BBB) is a critical factor in its potential as a central nervous system (CNS) drug. BBB permeability is often a major challenge in drug development, particularly for CNS disorders. The structural features of 3H-Pyrazol-3-one make it an attractive candidate for designing drugs with improved BBB penetration, which could revolutionize the treatment of conditions such as epilepsy and neurodegenerative diseases.

Recent advancements in computational chemistry have also played a pivotal role in understanding the molecular mechanisms underlying CAS No. 74530-10-2's biological activity. Molecular docking studies have provided valuable insights into how the compound interacts with target proteins, such as enzymes and receptors, at the atomic level. These studies have been instrumental in guiding medicinal chemists in optimizing the compound's structure for enhanced efficacy and selectivity.

One of the most promising applications of 3H-Pyrazol-3-one derivatives is in the development of targeted therapies for cancer. Cancer drugs often rely on the inhibition of specific pathways or enzymes that are critical for tumor growth and survival. The ability of pyrazolone compounds to selectively target these pathways has made them a focal point in oncology research. Recent studies have highlighted their potential as inhibitors of key enzymes such as tyrosine kinases, which play a crucial role in cancer progression.

Additionally, the compound's versatility allows for easy modification and functionalization, enabling researchers to tailor its properties for specific therapeutic needs. For example, introducing hydroxyl or carboxylic acid groups at strategic positions can enhance its solubility, stability, or ability to form drug delivery systems such as prodrugs or nanoparticles.

Despite the significant progress made in understanding CAS No. 74530-10-2's biological properties, several challenges remain. One of the primary hurdles is optimizing its pharmacokinetics, including absorption, distribution, metabolism, and excretion (ADME) profiles, to ensure safe and effective drug levels in the body. Addressing these challenges requires a multidisciplinary approach, combining insights from medicinal chemistry, pharmacology, and computational biology.

Overall, 3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl- (CAS No. 74530-10-2) stands as a testament to the vast potential of heterocyclic compounds in drug discovery. Its unique structural features, coupled with its diverse biological activities, position it as a valuable tool in the quest for innovative therapies for some of the most challenging diseases facing humanity today.

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