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CS-W001157 4
Total: USD 88.00

5-(4-chlorophenyl)-2-methylpyrazole-3-carboxylic acid

  • CAS No. 1015868-48-0

  • Cat. No. CS-0038337
  • Purity≥98%
  • MDL No.None

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

5-(4-chlorophenyl)-2-methylpyrazole-3-carboxylic acid|CS-0038337

Structure of 1015868-48-0

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General Information

  • CAS No. 1015868-48-0
  • Cat. No. CS-0038337
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉ClN₂O₂
  • Molecular Weight 236.65
  • Synonym(s) 5-(4-Chloro-phenyl)-2-methyl-2H-pyrazole-3-carboxylic acid
  • SMILES CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)C(=O)O

Description

This pyrazole carboxylic acid features a 4-chlorophenyl substituent and a methyl group at the N1 position, delivering enhanced electron-withdrawing character. The para-chloroaryl moiety imparts favorable lipophilicity and metabolic stability, while the carboxylic acid enables direct conjugation or derivatization in medicinal chemistry campaigns.

Application

3-(4-Chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its defined regiochemistry and bench-stable carboxylic acid functionality facilitate direct derivatization, amidation, or esterification in synthetic workflows. The 4-chlorophenyl substituent provides a handle for further cross-coupling, while the methylpyrazole core offers predictable electronic and steric properties suitable for target-oriented synthesis.

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   55.12
  • LogP   2.4387
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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