5-(3,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(3,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(3,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid CAS Name: 5-(3,4-dimethylphenyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(3,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(3,4-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C)C)C(=O)O)C

InChI

InChI=1S/C18H18N4O2/c1-10-5-6-14(7-11(10)2)16-9-15(17(23)24)21-22(16)18-19-12(3)8-13(4)20-18/h5-9H,1-4H3,(H,23,24)