5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-5-tert-butyl-pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-5-tert-butylpyrazole-3-carboxylic acid Traditional Name: 2-benzyl-5-tert-butyl-pyrazole-3-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2/c1-15(2,3)13-9-12(14(18)19)17(16-13)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,18,19)