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CS-W001157 4
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1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid

  • CAS No. 92534-69-5

  • Cat. No. CS-0045086
  • Purity≥98%
  • MDL No.MFCD00222738

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

1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid|CS-0045086

Structure of 92534-69-5

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General Information

  • CAS No. 92534-69-5
  • Cat. No. CS-0045086
  • Purity ≥98%
  • MDL No. MFCD00222738
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₄
  • Molecular Weight 171.11
  • Synonym(s) None
  • SMILES O=C(C1=C([N+]([O-])=O)C=NN1C)O

Description

1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid features a conjugated pyrazole core bearing a nitro group at C4 and a carboxylic acid at C5, enabling direct functionalization in synthetic routes. The methyl substituent enhances solubility and steric protection, while the electron-deficient pyrazole ring supports efficient coupling reactions under mild conditions. This scaffold serves as a key building block in medicinal chemistry and materials science.

Application

1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized pyrazole scaffolds. Its dual nitro and carboxylic acid groups provide orthogonal reactivity for derivatization, while the methyl substituent enhances stability and modulates electronic properties. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry campaigns and process-scale applications.

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   98.26
  • LogP   0.0265
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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