2-[[3-(1-ethyl-5-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[3-(1-ethyl-5-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[3-(1-ethyl-5-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid CAS Name: 2-[[3-(1-ethyl-5-methyl-4-pyrazolyl)-1-pyrazolyl]methyl]benzoic acid IUPAC Name: 2-[[3-(1-ethyl-5-methylpyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[3-(1-ethyl-5-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NN(C=C2)CC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NN(C=C2)CC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C17H18N4O2/c1-3-21-12(2)15(10-18-21)16-8-9-20(19-16)11-13-6-4-5-7-14(13)17(22)23/h4-10H,3,11H2,1-2H3,(H,22,23)