1-tert-butyl-1H-pyrazole-4-carboxylic acid

• CAT Number: L040647
• CAS Number: 950858-65-8
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19
• Purity: ≥95%
• IUPAC Name: 1-tert-butylpyrazole-4-carboxylic acid
• InChI: InChI=1S/C8H12N2O2/c1-8(2,3)10-5-6(4-9-10)7(11)12/h4-5H,1-3H3,(H,11,12)
• InChIKey: UQRFFZHSJYVBMX-UHFFFAOYSA-N
• SMILES: CC(C)(C)N1C=C(C=N1)C(=O)O

1-tert-Butyl-1H-pyrazole-4-carboxylic acid（Cat No.:L040647）is a heterocyclic compound featuring a pyrazole ring substituted with a tert-butyl group at the 1-position and a carboxylic acid at the 4-position. The pyrazole core is a privileged structure in medicinal chemistry, often contributing to bioactivity through hydrogen bonding and π–π interactions. The bulky tert-butyl group enhances lipophilicity and can influence steric interactions in target binding. The carboxylic acid moiety serves as a versatile handle for amide bond formation, making this compound valuable in drug discovery, especially for designing kinase inhibitors and enzyme-targeted molecules.