3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(4-isopropylbenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(C)C)C)C(=O)O

InChI

InChI=1S/C16H20N2O2/c1-10(2)14-7-5-13(6-8-14)9-18-12(4)15(16(19)20)11(3)17-18/h5-8,10H,9H2,1-4H3,(H,19,20)