Description

Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate (CAS No. 133261-07-1) is a high-purity organic compound with the molecular formula C₁₀H₁₆N₂O₂ and IUPAC name ethyl 2-methyl-5-propylpyrazole-3-carboxylate. This pyrazole derivative is a versatile building block in pharmaceutical and agrochemical research, offering excellent reactivity for heterocyclic synthesis. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a clear to pale-yellow liquid with consistent batch-to-batch quality. Suitable for use in medicinal chemistry, catalyst development, and material science applications. Packaged under inert gas in amber glass vials to ensure stability during shipping and storage.

Key Specifications:
– Molecular Weight: 196.25 g/mol
– Boiling Point: ~280°C (predicted)
– Density: ~1.02 g/cm³ (estimated)
– Storage: 2-8°C under inert atmosphere
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 133261-07-1
• Complexity: 197
• IUPAC Name: ethyl 2-methyl-5-propyl-pyrazole-3-carboxylate
• InChI: InChI=1S/C10H16N2O2/c1-4-6-8-7-9(12(3)11-8)10(13)14-5-2/h7H,4-6H2,1-3H3
• InChI Key: ZPSRHLWRTVNGSM-UHFFFAOYSA-N
• Exact Mass: 196.121177757
• Molecular Formula: C10H16N2O2
• Molecular Weight: 196.25
• SMILES: CCCC1=NN(C(=C1)C(=O)OCC)C
• Topological: 44.1
• Monoisotopic Mass: 196.121177757
• Synonyms: 133261-07-1, Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate, 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid ethyl ester, ETHYL 2-METHYL-5-PROPYLPYRAZOLE-3-CARBOXYLATE, MFCD08459062, 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl ester, Ethyl 2-methyl-5-propyl-pyrazole-3-carboxylate, SCHEMBL859, 1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester, DTXSID50436436, ZPSRHLWRTVNGSM-UHFFFAOYSA-N, AKOS006291224, AS-71477, CS-0321022, F16035, ethyl 1-methyl-3-n-propyl-pyrazole-5-carboxylate, Ethyl1-methyl-3-propyl-1H-pyrazole-5-carboxylate, 2-Methyl-5-propyl-2H-pyrazole-3-carboxylic acid ethyl ester

Application

This pyrazole ester serves as a key intermediate in the synthesis of biologically active compounds, particularly in development of kinase inhibitors and anti-inflammatory agents. Researchers utilize it for constructing fused heterocyclic systems in medicinal chemistry programs. The propyl and ester substituents make it valuable for structure-activity relationship (SAR) studies in drug discovery. It’s also employed in coordination chemistry as a ligand precursor for transition metal complexes.

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