3-tert-butyl-5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(4,6-dimethyl-2-pyrimidinyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylic acid Formula: C14H17ClN4O2 MolecularWeight: 308.76338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C(C)(C)C)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C(C)(C)C)C(=O)O)Cl)C

InChI

InChI=1S/C14H17ClN4O2/c1-7-6-8(2)17-13(16-7)19-11(15)9(12(20)21)10(18-19)14(3,4)5/h6H,1-5H3,(H,20,21)