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CS-W001157 4
Total: USD 88.00

5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid

  • CAS No. 1197631-00-7

  • Cat. No. CS-W006612
  • Purity≥98%
  • MDL No.MFCD04327495

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

5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid|CS-W006612

Structure of 1197631-00-7

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General Information

  • CAS No. 1197631-00-7
  • Cat. No. CS-W006612
  • Purity ≥98%
  • MDL No. MFCD04327495
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₂O₂
  • Molecular Weight 222.63
  • Synonym(s) None
  • SMILES ClC1=C(C=CC=C1)C2=CC(=N[NH]2)C(=O)O

Description

5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid features a conjugated pyrazole core with a para-chlorinated phenyl substituent and a carboxylic acid handle. This scaffold delivers enhanced solubility and metabolic stability, enabling direct incorporation into bioactive molecules. The electron-deficient aryl ring supports efficient coupling reactions, while the acidic proton facilitates salt formation for improved formulation compatibility.

Application

5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical research. Its structure combines a pyrazole core with an electron-withdrawing carboxylic acid and a 2-chlorophenyl substituent, enabling direct functionalization and coupling reactions. The compound exhibits good bench stability and facilitates efficient derivatization via amide formation, esterification, or metal-catalyzed cross-coupling, supporting rapid scaffold diversification in lead optimization campaigns.

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   65.98
  • LogP   2.4283
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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