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Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

  • CAS No. 129768-30-5

  • Cat. No. CS-0089749
  • Purity≥97%
  • MDL No.MFCD04111238
  • HazMat Fee +

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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

Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate|CS-0089749

Structure of 129768-30-5

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Description

Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate features a trifluoromethyl group that imparts strong electron-withdrawing character, enhancing reactivity in cross-coupling and cyclization reactions. The pyrazole core provides a rigid, polar scaffold ideal for medicinal chemistry applications. This bench-stable ester integrates readily into synthetic sequences requiring nitrogen heterocycles with tunable solubility and metabolic stability.

Application

Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate serves as a versatile building block in medicinal and process chemistry, enabling efficient construction of pyrazole-based heterocycles. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the ester functionality facilitates downstream transformations including hydrolysis, reduction, and coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for iterative library synthesis and API intermediate development.

General Information

  • CAS No. 129768-30-5
  • Cat. No. CS-0089749
  • Purity ≥97%
  • MDL No. MFCD04111238
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₃N₂O₂
  • Molecular Weight 208.14
  • Synonym(s) ethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
  • SMILES O=C(C1=NNC(C(F)(F)F)=C1)OCC

Computational Chemistry Data

  • TPSA   54.98
  • LogP   1.6052
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P280-P304+P340

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