1-(2,6-dimethylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2,6-dimethylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(2,6-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carboxylic acid CAS Name: 1-(2,6-dimethylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,6-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxylic acid Traditional Name: 1-(2,6-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carboxylic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)O)C3CCNCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)O)C3CCNCC3

InChI

InChI=1S/C17H21N3O2/c1-11-4-3-5-12(2)15(11)20-16(13-6-8-18-9-7-13)14(10-19-20)17(21)22/h3-5,10,13,18H,6-9H2,1-2H3,(H,21,22)