5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-2-(m-tolylmethyl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-2-[(3-methylphenyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-2-(3-methylbenzyl)pyrazole-3-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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