5-(4-tert-butylphenyl)-2-propyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-tert-butylphenyl)-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-tert-butylphenyl)-2-propyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-tert-butylphenyl)-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-tert-butylphenyl)-2-propylpyrazole-3-carboxylic acid Traditional Name: 5-(4-tert-butylphenyl)-2-propyl-pyrazole-3-carboxylic acid Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCN1C(=CC(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C17H22N2O2/c1-5-10-19-15(16(20)21)11-14(18-19)12-6-8-13(9-7-12)17(2,3)4/h6-9,11H,5,10H2,1-4H3,(H,20,21)