Methyl 3-methyl-1H-pyrazole-4-carboxylate

Name: Methyl 3-methyl-1H-pyrazole-4-carboxylate
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CAS No. 23170-45-8
Cat. No. CS-W022835
Purity≥98%
MDL No.MFCD07357354

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Methyl 3-methyl-1H-pyrazole-4-carboxylate|CS-W022835

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General Information

CAS No. 23170-45-8
Cat. No. CS-W022835
Purity ≥98%
MDL No. MFCD07357354
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₈N₂O₂
Molecular Weight 140.14
Synonym(s) 5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
SMILES CC1=N[NH]C=C1C(=O)OC

Description

Methyl 3-methyl-1H-pyrazole-4-carboxylate is a bench-stable heterocyclic ester featuring a pyrazole core with methyl and ester functionalities at the 3- and 4-positions, respectively. This configuration enables direct incorporation into diverse synthetic sequences, particularly in medicinal chemistry and agrochemical scaffold development. The electron-rich pyrazole ring facilitates transition metal-catalyzed coupling reactions, while the ester group offers a handle for selective derivatization under mild conditions.

Application

Methyl 3-methyl-1H-pyrazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds prevalent in medicinal chemistry. Its methyl ester group facilitates straightforward derivatization via hydrolysis or reduction, while the 3-methyl substituent enhances stability and modulates reactivity. The compound exhibits excellent bench stability, tolerates a range of functional groups, and participates reliably in standard coupling and cyclization reactions, making it well-suited for iterative synthesis workflows.

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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Computational Chemistry Data

TPSA 54.98
LogP 0.50472
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Methyl 3-methyl-1H-pyrazole-4-carboxylate

CAS No. 23170-45-8

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