1-[4-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[4-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 3,5-dimethyl-1-[4-(pivaloylamino)phenyl]pyrazole-4-carboxylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C(C)(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C(C)(C)C)C)C(=O)O

InChI

InChI=1S/C17H21N3O3/c1-10-14(15(21)22)11(2)20(19-10)13-8-6-12(7-9-13)18-16(23)17(3,4)5/h6-9H,1-5H3,(H,18,23)(H,21,22)