Cas no 53409-45-3 (3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-)

Technical Introduction: 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- is a heterocyclic compound featuring a pyrazolone core substituted with a 4-chlorobenzyl group. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications, particularly as an intermediate in the synthesis of biologically active molecules. The presence of the chlorophenyl moiety enhances lipophilicity, which may improve binding affinity in target interactions. Its stable dihydropyrazolone framework offers versatility for further functionalization, making it valuable for medicinal chemistry research. The compound is characterized by high purity and consistent performance, ensuring reliability in synthetic workflows. Handling should adhere to standard safety protocols for chlorinated organic compounds.
3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- structure
53409-45-3 structure
Product Name:3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-
CAS No:53409-45-3
MF:C10H9ClN2O
MW:208.64426112175
CID:357359
PubChem ID:3729534
Update Time:2025-10-28

3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-
    • 2-[(4-chlorophenyl)methyl]-1H-pyrazol-5-one
    • 1-(4-Chlorobenzyl)-1H-pyrazol-3(2H)-one
    • 1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-pyrazol-3-one
    • DTXSID80395628
    • 53409-45-3
    • 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
    • Inchi: 1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14)
    • InChI Key: DPLDIOUVLAKRJI-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)CN1C=CC(N1)=O

Computed Properties

  • Exact Mass: 208.04047
  • Monoisotopic Mass: 208.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 247
  • 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
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • PSA: 32.34

3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y1250153-250mg
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
250mg
$710 2024-06-05
eNovation Chemicals LLC
Y1250153-100mg
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
100mg
$395 2024-06-05
eNovation Chemicals LLC
Y1250153-1g
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
1g
$1835 2024-06-05
1PlusChem
1P01EWUA-100mg
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
100mg
$231.00 2024-04-30
1PlusChem
1P01EWUA-250mg
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
250mg
$455.00 2024-04-30
1PlusChem
1P01EWUA-1g
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
1g
$1213.00 2024-04-30
A2B Chem LLC
AX74562-100mg
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
100mg
$195.00 2024-04-19
A2B Chem LLC
AX74562-250mg
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
250mg
$395.00 2024-04-19
A2B Chem LLC
AX74562-1g
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
53409-45-3 98%
1g
$1095.00 2024-04-19
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1664848-250mg
1-(4-Chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one
53409-45-3 98%
250mg
¥2763.00 2024-05-10

Additional information on 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-

Comprehensive Overview of 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- (CAS No. 53409-45-3)

The compound 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- (CAS No. 53409-45-3) is a heterocyclic organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. With its unique pyrazolone core and 4-chlorobenzyl substitution, this compound exhibits versatile chemical properties, making it a valuable intermediate in synthetic chemistry. Researchers and industry professionals frequently search for terms like "pyrazolone derivatives applications", "CAS 53409-45-3 uses", and "chlorophenylmethyl pyrazolone synthesis", reflecting its broad relevance.

One of the key features of 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- is its potential role in drug discovery. The pyrazolone scaffold is known for its bioactivity, often explored for anti-inflammatory, antimicrobial, and antioxidant properties. Recent trends in AI-driven drug design and computational chemistry have highlighted the importance of such heterocycles, as they can be optimized for target-specific interactions. Searches like "pyrazolone in medicinal chemistry" and "heterocyclic compounds in drug development" underscore this growing interest.

In agrochemical applications, the 4-chlorophenyl moiety in CAS No. 53409-45-3 contributes to its efficacy as a potential pesticide or herbicide intermediate. With the global push toward sustainable agriculture, researchers are investigating eco-friendly derivatives of such compounds. Popular queries such as "green synthesis of pyrazolones" and "agrochemical intermediates 2024" align with these developments. The compound’s stability and reactivity make it a candidate for further innovation in crop protection.

Synthetic methodologies for 1-[(4-chlorophenyl)methyl]-1,2-dihydro-3H-pyrazol-3-one often involve condensation reactions or catalytic processes. Advanced techniques like microwave-assisted synthesis and flow chemistry are being explored to improve yield and reduce environmental impact. Laboratories frequently search for "optimized pyrazolone synthesis" and "CAS 53409-45-3 preparation", indicating demand for efficient protocols. The compound’s purity and scalability are critical for industrial adoption.

From an analytical perspective, 53409-45-3 is characterized using techniques such as NMR, HPLC, and mass spectrometry. Quality control is paramount, especially when the compound is used in high-value applications. Searches like "pyrazolone analytical methods" and "CAS 53409-45-3 specifications" reflect the need for precise characterization. Regulatory compliance and safety data are also frequently queried, emphasizing the compound’s standardized handling.

In conclusion, 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- (CAS No. 53409-45-3) is a multifaceted compound with applications spanning pharmaceuticals, agrochemicals, and material science. Its structural versatility aligns with contemporary research trends, including green chemistry and AI-aided molecular design. By addressing common search queries and leveraging its heterocyclic advantages, this compound remains a focal point for innovation.

Recommended suppliers
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司