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

Name: tert-Butyl 5-amino-1H-pyrazole-1-carboxylate
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CAS No. 1003011-02-6
Cat. No. CS-0040421
Purity≥98%
MDL No.MFCD20702903

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Type	HazMat Fee
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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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tert-Butyl 5-amino-1H-pyrazole-1-carboxylate|CS-0040421

Structure of 1003011-02-6

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General Information

CAS No. 1003011-02-6
Cat. No. CS-0040421
Purity ≥98%
MDL No. MFCD20702903
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₃N₃O₂
Molecular Weight 183.21
Synonym(s) 5-amino-pyrazole-1-carboxylic acid tert-butyl ester
SMILES O=C(N1N=CC=C1N)OC(C)(C)C

Description

tert-Butyl 5-amino-1H-pyrazole-1-carboxylate is a bench-stable, moisture-tolerant building block featuring a pyrazole core with orthogonal functional handles. This compound integrates seamlessly into medicinal chemistry campaigns, where the amino group enables direct derivatization and the tert-butyl ester supports selective deprotection under mild acidic conditions.

Application

tert-Butyl 5-amino-1H-pyrazole-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrazole-based heterocycles through standard amine functionalization and coupling reactions. Its tert-butyl carbamate group offers excellent bench stability and facilitates straightforward deprotection under mild acidic conditions. The molecule exhibits robust functional group tolerance and is well-suited for iterative synthetic strategies in API development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 70.14
LogP 1.2485
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 5-amino-1H-pyrazole-1-carboxylate

CAS No. 1003011-02-6

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