Methyl 1H-pyrazole-4-carboxylate

Name: Methyl 1H-pyrazole-4-carboxylate
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CAS No. 51105-90-9
Cat. No. CS-W005446
Purity≥98%
MDL No.MFCD00297363

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Methyl 1H-pyrazole-4-carboxylate|CS-W005446

Structure of 51105-90-9

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Description

Methyl 1H-pyrazole-4-carboxylate features a pyrazole ring bearing a methyl ester at the 4-position, enabling direct integration into heterocyclic synthesis. The electron-deficient pyrazole core supports transition metal-catalyzed couplings and functionalization reactions. This bench-stable reagent facilitates efficient access to bioactive pyrazole derivatives under standard conditions.

Application

Methyl 1H-pyrazole-4-carboxylate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The pyrazole ring exhibits robust stability and functional group tolerance, enabling direct derivatization at the C4 position via nucleophilic substitution or transition-metal-catalyzed coupling. Its ester moiety facilitates selective reduction or hydrolysis, providing access to key intermediates for API development. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step syntheses requiring orthogonality and predictable reactivity.

General Information

CAS No. 51105-90-9
Cat. No. CS-W005446
Purity ≥98%
MDL No. MFCD00297363
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₆N₂O₂
Molecular Weight 126.11
Synonym(s) PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
SMILES O=C(C1=CNN=C1)OC

Computational Chemistry Data

TPSA 54.98
LogP 0.1963
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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 Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Methyl 1H-pyrazole-4-carboxylate

CAS No. 51105-90-9

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