1257861-04-3 | Ethyl 3-bromo-4-methyl-1h-pyrazole-5-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$14.00	$10.00
250mg	98%	in stock	$26.00	$19.00
25g	98%	in stock	$1,973.00	$1,381.00

Description

• Catalog Number: AA31867
• Chemical Name: Ethyl 3-bromo-4-methyl-1h-pyrazole-5-carboxylate
• CAS Number: 1257861-04-3
• Molecular Formula: C7H9BrN2O2
• Molecular Weight: 233.06256
• MDL Number: MFCD20921911
• SMILES: Cc1c(n[nH]c1Br)C(=O)OCC

Computed Properties

• Complexity: 177
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2.2

Upstream Synthesis Route

The compound 1H-Pyrazole-3-carboxylic acid, 5-bromo-4-methyl-, ethyl ester finds significant application in chemical synthesis as a versatile building block. It serves as a key intermediate in the synthesis of various biologically active compounds and pharmaceutical agents. Through strategic manipulation of its functional groups, this compound can be efficiently converted into a wide range of derivatives with diverse properties and functionalities. Its unique structure allows for the introduction of different substituents, enabling the creation of complex molecular architectures in a controlled manner. Moreover, its reactivity under various reaction conditions makes it a valuable tool for organic chemists in the design and synthesis of novel molecules with potential therapeutic applications.