2,5-dimethyl-4-(2-phenylethynyl)pyrazole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-(2-phenylethynyl)pyrazole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-(2-phenylethynyl)pyrazole-3-carboxylic acid CAS Name: 2,5-dimethyl-4-(2-phenylethynyl)-3-pyrazolecarboxylic acid IUPAC Name: 2,5-dimethyl-4-(2-phenylethynyl)pyrazole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-(2-phenylethynyl)pyrazole-3-carboxylic acid Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#CC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1C#CC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C14H12N2O2/c1-10-12(13(14(17)18)16(2)15-10)9-8-11-6-4-3-5-7-11/h3-7H,1-2H3,(H,17,18)