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CS-W001157 4
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1-Methyl-1H-indazole-5-carboxylic acid

  • CAS No. 1176754-31-6

  • Cat. No. CS-0052467
  • Purity≥97%
  • MDL No.None

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

1-Methyl-1H-indazole-5-carboxylic acid|CS-0052467

Structure of 1176754-31-6

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General Information

  • CAS No. 1176754-31-6
  • Cat. No. CS-0052467
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 1-Methyl-indazole-5-carboxylic acid
  • SMILES CN1N=CC2=CC(=CC=C12)C(O)=O

Description

1-Methyl-1H-indazole-5-carboxylic acid features a fused bicyclic core with a methylated indazole ring and a carboxylic acid at the 5-position, enabling direct conjugation or derivatization. This structural motif delivers enhanced solubility and metabolic stability in bioactive molecule design.

Application

1-Methyl-1H-indazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles. Its carboxylic acid functionality facilitates direct amidation, esterification, and coupling reactions under standard conditions. The indazole core provides structural rigidity and favorable pharmacophoric properties, while the methyl group enhances metabolic stability and modulates solubility. Bench-stable and readily purified by recrystallization, it functions reliably in peptide conjugation, macrocyclization, and scaffold diversification workflows.

Synthesis

  • Route1
    • In-stock
      Methyl 1-methyl-1H-indazole-5-carboxylate|CS-0042587
      1092351-82-0
    • ~95%
    • In-stock
      1-Methyl-1H-indazole-5-carboxylic acid|CS-0052467
      1176754-31-6

    References

    • BIOENERGENIX Patent: US2012/277224 A1, 2012 ; Location in patent: Page/Page column 38 ; US 20120277224 A1
  • Route2

    References

    • US2012/277224 A1, ; US 20120277224 A1

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

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.2715
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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