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

  • CAS No. 401629-04-7

  • Cat. No. CS-0037041
  • Purity≥95%
  • MDL No.MFCD03834492

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

5-Cyclopropyl-1H-pyrazole-3-carboxylic acid|CS-0037041

Structure of 401629-04-7

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General Information

  • CAS No. 401629-04-7
  • Cat. No. CS-0037041
  • Purity ≥95%
  • MDL No. MFCD03834492
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂
  • Molecular Weight 152.15
  • Synonym(s) 3-cyclopropyl-1H-pyrazole-5-carboxylic acid
  • SMILES C1CC1C2=CC(=NN2)C(=O)O

Description

5-Cyclopropyl-1H-pyrazole-3-carboxylic acid features a cyclopropyl group at the 5-position, enhancing lipophilicity and metabolic stability. The carboxylic acid moiety enables direct derivatization or salt formation. This scaffold integrates readily into bioactive molecules, particularly in kinase inhibitor and CNS-targeted compound libraries.

Application

5-Cyclopropyl-1H-pyrazole-3-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its pyrazole core provides robust stability and moderate lipophilicity, while the carboxylic acid functionality enables direct derivatization via amide coupling, esterification, or salt formation. The cyclopropyl group enhances metabolic stability and contributes to favorable pharmacokinetic properties in bioactive scaffolds. This compound demonstrates excellent bench stability and compatibility with standard purification methods, facilitating integration into multi-step synthetic sequences.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   0.9853
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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