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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-pyrrol-1-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-pyrrol-1-yl-pyrazole-4-carboxylic acid CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-pyrrol-1-yl-pyrazole-4-carboxylic acid Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3)C

InChI

InChI=1S/C14H13N5O2/c1-9-7-10(2)17-14(16-9)19-12(18-5-3-4-6-18)11(8-15-19)13(20)21/h3-8H,1-2H3,(H,20,21)