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CS-W001157 4
Total: USD 88.00

Methyl 1H-pyrazole-4-carboxylate hydrochloride

  • CAS No. 181997-36-4

  • Cat. No. CS-0199342
  • Molecule weight162.57
  • Purity≥98%
  • MDL No.None

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

Methyl 1H-pyrazole-4-carboxylate hydrochloride|CS-0199342

Structure of 181997-36-4

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General Information

  • CAS No. 181997-36-4
  • Cat. No. CS-0199342
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇ClN₂O₂
  • Molecular Weight 162.57
  • Synonym(s) None
  • SMILES O=C(C1=CNN=C1)OC.[H]Cl

Description

Methyl 1H-pyrazole-4-carboxylate hydrochloride features a pyrazole core with a methyl ester at the 4-position, providing a stable, moisture-tolerant scaffold for synthetic diversification. This bench-stable salt integrates readily into medicinal chemistry campaigns targeting heterocyclic bioactive molecules.

Application

Methyl 1H-pyrazole-4-carboxylate hydrochloride serves as a versatile building block in medicinal chemistry and synthetic organic chemistry. Its pyrazole core provides a rigid, bioisostatic scaffold with enhanced metabolic stability, while the ester functionality enables facile derivatization via hydrolysis, reduction, or coupling reactions. The hydrochloride salt improves crystallinity and handling, facilitating purification and storage. This compound functions effectively in Suzuki-Miyaura, Buchwald-Hartwig, and Ugi-type reactions, enabling rapid access to diverse heterocyclic libraries and drug-like scaffolds.

Safety Information

Download SDS
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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   0.6181
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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