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1-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

  • CAS No. 854405-75-7

  • Cat. No. CS-0047143
  • Molecule weight166.18
  • Purity≥98%
  • MDL No.None

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

1-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid|CS-0047143

Structure of 854405-75-7

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General Information

  • CAS No. 854405-75-7
  • Cat. No. CS-0047143
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₂
  • Molecular Weight 166.18
  • Synonym(s) 1-Methyl-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid
  • SMILES O=C(C1=NN(C)C2=C1CCC2)O

Description

1-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid features a rigid, electron-deficient heterocyclic core that integrates readily into bioactive scaffolds. This bench-stable carboxylic acid derivative offers enhanced solubility and metabolic stability in medicinal chemistry applications, enabling efficient coupling in peptide synthesis and fragment-based drug discovery workflows.

Application

1-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard coupling and functionalization reactions. Its carboxylic acid group facilitates amide bond formation and derivatization under mild conditions, while the tetrahydrocyclopenta[c]pyrazole core exhibits good bench stability and compatibility with diverse functional groups. This compound functions effectively in parallel synthesis campaigns and process development workflows.

Synthesis

  • Route1
    • null|null
      120-92-3
    • ~%
    • In-stock
      1-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid|CS-0047143
      854405-75-7

    References

    • v. Auwers; Noll Justus Liebigs Annalen der Chemie, 1938 , vol. 536, p. 97,108
  • Route2

    References

    • v. Auwers; Noll Justus Liebigs Annalen der Chemie, 1938 , vol. 536, p. 97,108

Safety Information

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

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.607
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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