51105-90-9 | methyl 1H-pyrazole-4-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$8.00	$5.00
250mg	97%	in stock	$9.00	$6.00
1g	97%	in stock	$10.00	$7.00
5g	97%	in stock	$17.00	$12.00
10g	97%	in stock	$27.00	$19.00
25g	97%	in stock	$61.00	$43.00
100g	97%	in stock	$237.00	$166.00

Description

• Catalog Number: AG19230
• Chemical Name: methyl 1H-pyrazole-4-carboxylate
• CAS Number: 51105-90-9
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.1133
• MDL Number: MFCD00297363
• SMILES: COC(=O)c1c[nH]nc1

Computed Properties

• Complexity: 116
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.1

Upstream Synthesis Route

Methyl 1H-pyrazole-4-carboxylate is a versatile compound commonly utilized in chemical synthesis as a key building block for various organic reactions. Its unique structure and reactivity make it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals.In organic synthesis, Methyl 1H-pyrazole-4-carboxylate can be employed as a precursor for the synthesis of heterocyclic compounds, which are essential in medicinal chemistry and material science. Its functional groups enable it to participate in a wide range of reactions, such as substitution, addition, and condensation, allowing for the creation of diverse molecular structures.Furthermore, Methyl 1H-pyrazole-4-carboxylate can be used in the preparation of complex molecules with biological activity or in the development of new chemical entities. Its role in chemical synthesis extends to the creation of novel organic frameworks that can potentially lead to the discovery of new drugs or materials with tailored properties.