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CS-W001157 4
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6-(1H-Pyrazol-1-yl)nicotinic acid

  • CAS No. 253315-22-9

  • Cat. No. CS-W015951
  • Molecule weight189.17
  • Purity≥98%
  • MDL No.MFCD00140749

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

6-(1H-Pyrazol-1-yl)nicotinic acid|CS-W015951

Structure of 253315-22-9

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General Information

  • CAS No. 253315-22-9
  • Cat. No. CS-W015951
  • Purity ≥98%
  • MDL No. MFCD00140749
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₂
  • Molecular Weight 189.17
  • Synonym(s) 6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid
  • SMILES O=C(O)C1=CN=C(C=C1)N2N=CC=C2

Description

6-(1H-Pyrazol-1-yl)nicotinic acid features a pyrazole moiety directly conjugated to the nicotinic acid scaffold, creating a rigid, electron-rich heteroaromatic system. This structural fusion enhances π-stacking potential and improves solubility in polar solvents. The compound serves as a key building block for bioactive heterocycles in medicinal chemistry and functional materials.

Application

6-(1H-Pyrazol-1-yl)nicotinic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its pyrazole-nicotinic scaffold offers enhanced solubility and metabolic stability, while the carboxylic acid group facilitates direct derivatization or amide formation. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it ideal for high-throughput synthesis and API development workflows.

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   68.01
  • LogP   0.9655
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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