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CS-W001157 4
Total: USD 88.00

3-Cyano-1H-pyrazole-5-carboxylic acid

  • CAS No. 1187361-13-2

  • Cat. No. CS-0040253
  • Purity≥97%
  • MDL No.MFCD09036046

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

3-Cyano-1H-pyrazole-5-carboxylic acid|CS-0040253

Structure of 1187361-13-2

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General Information

  • CAS No. 1187361-13-2
  • Cat. No. CS-0040253
  • Purity ≥97%
  • MDL No. MFCD09036046
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃N₃O₂
  • Molecular Weight 137.10
  • Synonym(s) None
  • SMILES O=C(C1=NNC(C#N)=C1)O

Description

3-Cyano-1H-pyrazole-5-carboxylic acid features a fused heterocyclic core bearing both nitrile and carboxylic acid functionalities, enabling direct integration into diverse synthetic scaffolds. The electron-deficient pyrazole ring facilitates nucleophilic addition reactions, while the dual polar groups enhance solubility in polar solvents and support conjugation in bioactive molecule design.

Application

3-Cyano-1H-pyrazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized pyrazole scaffolds. Its dual functionality—nitrile and carboxylic acid groups—facilitates diverse transformations including amidation, esterification, and cyclization reactions. The compound exhibits good bench stability and ease of purification, supporting its use in multi-step synthesis workflows for heterocyclic compounds and API intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P280-P331

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Computational Chemistry Data

  • TPSA   89.77
  • LogP   -0.02042
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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