Ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Name: Ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
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CAS No. 133922-58-4
Cat. No. CS-0080496
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate|CS-0080496

Structure of 133922-58-4

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Description

Ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate features a trifluoromethyl group that enhances metabolic stability and lipophilicity, while the amino and ester functionalities enable facile derivatization. This scaffold integrates readily into bioactive molecule design, particularly in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

Ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to trifluoromethylated pyrazole scaffolds. The amino and ester functionalities offer orthogonal reactivity for peptide coupling, electrophilic substitution, and transition-metal-catalyzed transformations. Bench-stable and readily purified by column chromatography, it facilitates scalable synthesis of bioactive heterocycles relevant to agrochemical and pharmaceutical discovery.

General Information

CAS No. 133922-58-4
Cat. No. CS-0080496
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₈F₃N₃O₂
Molecular Weight 223.15
Synonym(s) ETHYL 5-AMINO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
SMILES FC(F)(F)C1=C(C(OCC)=O)C(N)=NN1

Computational Chemistry Data

TPSA 81
LogP 1.1874
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 2

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-P280-P302+P352

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Ethyl 3-amino-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

CAS No. 133922-58-4

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