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

Systemtic Name: 3-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-5-methyl-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-methyl-1-phenyl-3-[4-(pivaloylamino)phenyl]pyrazole-4-carboxylic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H23N3O3/c1-14-18(20(26)27)19(24-25(14)17-8-6-5-7-9-17)15-10-12-16(13-11-15)23-21(28)22(2,3)4/h5-13H,1-4H3,(H,23,28)(H,26,27)