1-[4-[(2S)-butan-2-yl]phenyl]-5-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-5-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-3-methyl-1-[4-[(1S)-1-methylpropyl]phenyl]pyrazole-4-carboxylic acid CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-5-(4-chlorophenyl)-3-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-5-(4-chlorophenyl)-3-methylpyrazole-4-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-3-methyl-1-[4-[(1S)-1-methylpropyl]phenyl]pyrazole-4-carboxylic acid Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2/c1-4-13(2)15-7-11-18(12-8-15)24-20(16-5-9-17(22)10-6-16)19(21(25)26)14(3)23-24/h5-13H,4H2,1-3H3,(H,25,26)/t13-/m0/s1