Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate

Name: Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
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CAS No. 866837-96-9
Cat. No. CS-0001920
Purity≥97%
MDL No.MFCD07388406

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate|CS-0001920

Structure of 866837-96-9

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Description

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate features a conjugated pyrazole core with an electron-rich amino group and a phenyl substituent, enabling robust integration into heterocyclic scaffolds. The ester functionality supports facile derivatization under standard conditions, while the bench-stable nature facilitates use in multi-step synthesis workflows.

Application

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate serves as a versatile scaffold for the synthesis of bioactive heterocycles, enabling efficient derivatization at both the amino and carboxylate positions. Its bench-stable nature and compatibility with standard coupling, acylation, and cyclization protocols make it well-suited for medicinal chemistry campaigns targeting pyrazole-based pharmaceuticals and agrochemicals.

General Information

CAS No. 866837-96-9
Cat. No. CS-0001920
Purity ≥97%
MDL No. MFCD07388406
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃N₃O₂
Molecular Weight 231.25
Synonym(s) ethyl 5-amino-1-phenylpyrazole-3-carboxylate
SMILES O=C(OCC)C1=NN(C(N)=C1)C2=CC=CC=C2

Computational Chemistry Data

TPSA 70.14
LogP 1.6312
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate

CAS No. 866837-96-9

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