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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-(4-fluorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Formula: C16H13FN4O2 MolecularWeight: 312.298423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C16H13FN4O2/c1-9-7-10(2)19-16(18-9)21-14(8-13(20-21)15(22)23)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,22,23)