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CS-W001157 4
Total: USD 88.00

1-Methyl-1H-pyrazol-5(4H)-one

  • CAS No. 10234-66-9

  • Cat. No. CS-0151202
  • Molecule weight98.10
  • Purity≥97%
  • MDL No.MFCD20229439

*For research and further manufacturing use only, not for direct human use.

1-Methyl-1H-pyrazol-5(4H)-one|CS-0151202

Structure of 10234-66-9

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General Information

  • CAS No. 10234-66-9
  • Cat. No. CS-0151202
  • Purity ≥97%
  • MDL No. MFCD20229439
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₂O
  • Molecular Weight 98.10
  • Synonym(s) 2-methyl-4H-pyrazol-3-one
  • SMILES CN1C(=O)CC=N1

Description

1-Methyl-1H-pyrazol-5(4H)-one features a planar, electron-rich heterocyclic core with enhanced solubility in polar solvents. This bench-stable compound integrates readily into synthetic sequences requiring nitrogen-donor ligands or hydrogen-bonding motifs. Its tautomeric equilibrium supports versatile participation in transition-metal catalysis and medicinal chemistry scaffolds.

Application

1-Methyl-1H-pyrazol-5(4H)-one serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based heterocycles through standard functionalization protocols. Its stability under routine reaction conditions and compatibility with diverse coupling reactions facilitate straightforward derivatization. The molecule functions effectively as a synthetic equivalent for 1-methylpyrazolone scaffolds in API development, particularly in the construction of bioactive compounds via nucleophilic substitution or metal-catalyzed transformations.

Synthesis

  • Route1

    References

    • Merkle, Hans Rupert; Fretschner, Erich Patent: US2004/102505 A1, 2004 ;
  • Route2
    • null|null
      57707-21-8
    • In-stock
      5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid|CS-0063952
      54367-66-7
    • ~94%
    • In-stock
      1-Methyl-1H-pyrazol-5(4H)-one|CS-0151202
      10234-66-9

    References

    • Merkle, Hans Rupert; Fretschner, Erich Patent: US2004/102505 A1, 2004 ;
  • Route3
    • null|null
      67-56-1
    • In-stock
      1H-pyrazol-5(4H)-one|CS-W004408
      137-44-0
    • ~42%
    • In-stock
      1-Methyl-1H-pyrazol-5(4H)-one|CS-0151202
      10234-66-9

    References

    • Shinoda, Sumio; Shima, Satoru; Yamakawa, Tetsu Synlett, 2000 , # 6 p. 809 - 810

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   -0.1657
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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