3-tert-butyl-5-chloranyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-5-chloranyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-isobutyl-pyrazole-4-carboxylic acid Formula: C12H19ClN2O2 MolecularWeight: 258.74446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=N1)C(C)(C)C)C(=O)O)Cl

Isomeric SMILES

CC(C)CN1C(=C(C(=N1)C(C)(C)C)C(=O)O)Cl

InChI

InChI=1S/C12H19ClN2O2/c1-7(2)6-15-10(13)8(11(16)17)9(14-15)12(3,4)5/h7H,6H2,1-5H3,(H,16,17)