3-tert-butyl-5-chloranyl-1-pyridin-4-yl-pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-5-chloranyl-1-pyridin-4-yl-pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-(4-pyridyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-pyridin-4-yl-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-pyridin-4-ylpyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-(4-pyridyl)pyrazole-4-carboxylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=CC=NC=C2

InChI

InChI=1S/C13H14ClN3O2/c1-13(2,3)10-9(12(18)19)11(14)17(16-10)8-4-6-15-7-5-8/h4-7H,1-3H3,(H,18,19)