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CS-W001157 4
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1-Acetyl-1,2-dihydro-3H-pyrazol-3-one

  • CAS No. 852471-15-9

  • Cat. No. CS-0137697
  • Purity≥98%
  • MDL No.MFCD25970218

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

1-Acetyl-1,2-dihydro-3H-pyrazol-3-one|CS-0137697

Structure of 852471-15-9

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General Information

  • CAS No. 852471-15-9
  • Cat. No. CS-0137697
  • Purity ≥98%
  • MDL No. MFCD25970218
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O₂
  • Molecular Weight 126.11
  • Synonym(s) 1-acetyl-2,3-dihydro-1H-pyrazol-3-one
  • SMILES O=C1NN(C(C)=O)C=C1

Description

1-Acetyl-1,2-dihydro-3H-pyrazol-3-one is a bench-stable heterocyclic compound featuring a fused pyrazolone core with an acetyl group at the N1 position. This structure imparts enhanced solubility and reactivity in synthetic transformations. The molecule serves as a key scaffold in medicinal chemistry for constructing bioactive analogs, particularly in kinase inhibitor and anti-inflammatory agent development. Its electron-deficient ring system facilitates efficient coupling reactions under mild conditions.

Application

1-Acetyl-1,2-dihydro-3H-pyrazol-3-one serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazole scaffolds. Its acetyl group facilitates regioselective functionalization and participates in classic condensation reactions, while the enolizable carbonyl supports metal-catalyzed coupling transformations. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative medicinal chemistry campaigns and API intermediate development.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   54.86
  • LogP   -0.1635
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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