Cas no 89464-90-4 (1-ethyl-1H-pyrazole-3-carboxamide)

1-ethyl-1H-pyrazole-3-carboxamide structure
89464-90-4 structure
Product Name:1-ethyl-1H-pyrazole-3-carboxamide
CAS No:89464-90-4
MF:C6H9N3O
MW:139.155160665512
MDL:MFCD04969896
CID:711766
PubChem ID:7017671
Update Time:2025-04-24

1-ethyl-1H-pyrazole-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxamide,1-ethyl-
    • 1-ETHYL-1 H -PYRAZOLE-3-CARBOXYLIC ACID AMIDE
    • 1-Ethyl-1H-pyrazole-3-carboxamide
    • Pyrazole-3-carboxamide, 1-ethyl- (7CI)
    • 1H-Pyrazole-3-carboxamide, 1-ethyl-
    • 1-ethyl-1H-pyrazole-3-carboxamide
    • MDL: MFCD04969896
    • Inchi: 1S/C6H9N3O/c1-2-9-4-3-5(8-9)6(7)10/h3-4H,2H2,1H3,(H2,7,10)
    • InChI Key: MLXGKZWDMDQKCG-UHFFFAOYSA-N
    • SMILES: N1(CC)C=CC(C(N)=O)=N1

Computed Properties

  • Exact Mass: 139.074561919g/mol
  • Monoisotopic Mass: 139.074561919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 137
  • 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: -0.3
  • Topological Polar Surface Area: 60.9?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 345.3±15.0 °C at 760 mmHg
  • Flash Point: 162.6±20.4 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C
  • pka: 15.73±0.50(Predicted)

1-ethyl-1H-pyrazole-3-carboxamide Security Information

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Additional information on 1-ethyl-1H-pyrazole-3-carboxamide

Comprehensive Guide to 1H-Pyrazole-3-carboxamide,1-ethyl- (CAS No. 89464-90-4): Properties, Applications, and Market Insights

1H-Pyrazole-3-carboxamide,1-ethyl- (CAS No. 89464-90-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This heterocyclic molecule, featuring a pyrazole core with an ethyl carboxamide substituent, serves as a crucial building block in medicinal chemistry. With the growing demand for novel drug candidates and crop protection agents, this compound has become increasingly relevant in modern chemical synthesis.

The molecular structure of 1-ethyl-1H-pyrazole-3-carboxamide combines the versatility of pyrazole rings with the hydrogen-bonding capability of amide groups. This unique combination makes it particularly valuable in drug discovery applications, where researchers frequently search for "pyrazole-based drug scaffolds" or "heterocyclic amides in medicinal chemistry." The compound's balanced lipophilicity and polarity contribute to its favorable pharmacokinetic properties, a hot topic in current pharmaceutical development.

Recent studies highlight the potential of 1H-Pyrazole-3-carboxamide derivatives in addressing several therapeutic areas. In neurological research, scientists are investigating its analogs for potential applications in neurodegenerative diseases, responding to frequent search queries like "pyrazole compounds for CNS disorders." The agrochemical industry has also shown interest, with researchers exploring its utility in developing new-generation crop protection agents, particularly as resistance to existing pesticides grows worldwide.

The synthesis of 1-ethyl-1H-pyrazole-3-carboxamide typically involves multi-step organic reactions, with many chemists searching for "efficient pyrazole-3-carboxamide synthesis methods." Modern approaches emphasize green chemistry principles, aligning with the current industry focus on sustainable manufacturing. The compound's crystallographic properties have been extensively studied, providing valuable data for researchers investigating "molecular packing of heterocyclic amides" or "hydrogen bonding in pyrazole derivatives."

Market analysis reveals growing demand for 1H-Pyrazole-3-carboxamide,1-ethyl- across several regions. Pharmaceutical companies in North America and Europe are particularly active in sourcing this compound, often searching for "high-purity pyrazole carboxamide suppliers." The Asia-Pacific market shows rapid growth, driven by increasing investment in contract research organizations and generic drug development. Quality specifications for this compound have become more stringent, reflecting the industry's emphasis on regulatory compliance and batch-to-batch consistency.

From a technical perspective, 1-ethyl-1H-pyrazole-3-carboxamide demonstrates excellent stability under standard storage conditions, a feature frequently queried by potential users ("pyrazole carboxamide shelf life"). Its solubility profile makes it suitable for various formulation approaches, addressing common formulation challenges in drug development. Researchers appreciate its compatibility with diverse chemical transformations, allowing for efficient derivatization – a topic that generates numerous search queries about "pyrazole ring functionalization techniques."

The safety profile of 1H-Pyrazole-3-carboxamide,1-ethyl- has been well-documented in scientific literature, with particular attention to its toxicological characteristics. This information responds to frequent searches about "pyrazole derivative safety data" and "handling precautions for heterocyclic amides." Proper material safety data sheets (MSDS) are readily available from reputable suppliers, ensuring compliance with international safety standards.

Looking ahead, the future applications of 1-ethyl-1H-pyrazole-3-carboxamide appear promising. Emerging research areas include its potential use in material science, particularly in the development of specialty polymers and coatings. The compound's molecular characteristics make it interesting for researchers investigating "functional materials based on nitrogen heterocycles," a trending topic in materials chemistry. Additionally, its role in catalysis continues to be explored, with several recent publications highlighting its potential as a ligand in transition metal catalysis.

For researchers and industry professionals seeking 1H-Pyrazole-3-carboxamide,1-ethyl-, understanding its analytical characterization is crucial. Common analytical techniques include HPLC, NMR spectroscopy, and mass spectrometry – methods frequently searched by quality control specialists. The compound typically shows excellent purity when properly synthesized, with most commercial samples exceeding 98% purity, meeting the stringent requirements of pharmaceutical applications.

In conclusion, 1H-Pyrazole-3-carboxamide,1-ethyl- (CAS No. 89464-90-4) represents a versatile and valuable compound in modern chemical research and development. Its applications span from pharmaceutical intermediates to potential agrochemical leads, addressing many current challenges in these fields. As research continues to uncover new possibilities for this molecular scaffold, its importance in both academic and industrial settings is likely to grow, making it a compound worth watching in the coming years.

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