1-tert-butyl-3-pyridin-4-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-pyridin-4-yl-pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(4-pyridyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-pyridin-4-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-pyridin-4-ylpyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(4-pyridyl)pyrazole-4-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-13(2,3)16-8-10(12(17)18)11(15-16)9-4-6-14-7-5-9/h4-8H,1-3H3,(H,17,18)