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

Systemtic Name: 3-tert-butyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-1-isobutyl-pyrazole-4-carboxylic acid Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O2/c1-8(2)6-14-7-9(11(15)16)10(13-14)12(3,4)5/h7-8H,6H2,1-5H3,(H,15,16)