2-[5-methyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[5-methyl-4-(2-phenylethynyl)pyrazol-1-yl]acetic acid CAS Name: 2-[5-methyl-4-(2-phenylethynyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[5-methyl-4-(2-phenylethynyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[5-methyl-4-(2-phenylethynyl)pyrazol-1-yl]acetic acid Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(=O)O)C#CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=NN1CC(=O)O)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H12N2O2/c1-11-13(9-15-16(11)10-14(17)18)8-7-12-5-3-2-4-6-12/h2-6,9H,10H2,1H3,(H,17,18)