2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[[5-(2,2-dimethylpropyl)-2-(o-tolyl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid CAS Name: 2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)-3-pyrazolyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Traditional Name: 2-[[5-neopentyl-2-(o-tolyl)pyrazol-3-yl]amino]nicotinic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)CC(C)(C)C)NC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)CC(C)(C)C)NC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C21H24N4O2/c1-14-8-5-6-10-17(14)25-18(12-15(24-25)13-21(2,3)4)23-19-16(20(26)27)9-7-11-22-19/h5-12H,13H2,1-4H3,(H,22,23)(H,26,27)