5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)O)Cl

InChI

InChI=1S/C13H13ClN2O2/c1-8-3-5-10(6-4-8)7-16-12(14)11(13(17)18)9(2)15-16/h3-6H,7H2,1-2H3,(H,17,18)