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CS-W001157 4
Total: USD 88.00

4-(1-Methyl-1H-pyrazol-4-yl)benzoic acid

  • CAS No. 199678-06-3

  • Cat. No. CS-0161017
  • Purity≥97%
  • MDL No.MFCD11932712

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

4-(1-Methyl-1H-pyrazol-4-yl)benzoic acid|CS-0161017

Structure of 199678-06-3

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General Information

  • CAS No. 199678-06-3
  • Cat. No. CS-0161017
  • Purity ≥97%
  • MDL No. MFCD11932712
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂
  • Molecular Weight 202.21
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C2=CN(C)N=C2)C=C1

Description

4-(1-Methyl-1H-pyrazol-4-yl)benzoic acid features a conjugated aryl-carboxylic acid linked via a phenylene spacer to an electron-rich pyrazole ring, enabling robust integration into bioactive scaffolds. The methyl-substituted pyrazole enhances metabolic stability and solubility under standard conditions. This structure facilitates efficient coupling in amide bond formation and serves as a key building block for pharmaceutical intermediates.

Application

4-(1-Methyl-1H-pyrazol-4-yl)benzoic acid serves as a versatile building block for bioactive molecule synthesis, enabling efficient construction of heterocyclic scaffolds via standard coupling reactions. The pyrazole moiety provides enhanced metabolic stability and hydrogen-bonding capacity, while the carboxylic acid group facilitates direct derivatization or amide formation under common conditions. Bench-stable and readily purified by recrystallization, it functions effectively in both medicinal chemistry lead optimization 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.7853
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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