3-tert-butyl-5-chloranyl-1-pyrimidin-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-5-chloranyl-1-pyrimidin-2-yl-pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-pyrimidin-2-yl-pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(2-pyrimidinyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-(2-pyrimidyl)pyrazole-4-carboxylic acid Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=NC=CC=N2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=NC=CC=N2

InChI

InChI=1S/C12H13ClN4O2/c1-12(2,3)8-7(10(18)19)9(13)17(16-8)11-14-5-4-6-15-11/h4-6H,1-3H3,(H,18,19)