tert-Butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate

Name: tert-Butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate
Brand: ChemScene
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CAS No. 578008-32-9
Cat. No. CS-0036055
Purity≥97%
MDL No.MFCD13252375

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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+

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tert-Butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate|CS-0036055

Structure of 578008-32-9

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General Information

CAS No. 578008-32-9
Cat. No. CS-0036055
Purity ≥97%
MDL No. MFCD13252375
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₅N₃O₂
Molecular Weight 197.23
Synonym(s) 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
SMILES CC1=CC(N)=NN1C(OC(C)(C)C)=O

Description

tert-Butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate features a sterically hindered tert-butyl ester paired with an electron-rich pyrazole core. The amino and methyl substituents enable direct functionalization at C3 and C5, facilitating rapid diversification in medicinal chemistry. This bench-stable reagent integrates cleanly into multistep syntheses of bioactive heterocycles.

Application

tert-Butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate serves as a versatile pyrazole scaffold for medicinal chemistry and process development. The protected amine and carboxylate functionalities enable sequential functionalization, while the methyl group provides defined regiochemistry. It facilitates efficient coupling reactions, heterocycle elaboration, and orthogonal derivatization, offering bench-stable handling and straightforward purification—ideal for building complex nitrogen-rich scaffolds in API discovery workflows.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 70.14
LogP 1.55692
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate

CAS No. 578008-32-9

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