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

Systemtic Name: 2-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid CAS Name: 2-[[3-(1-ethyl-4-pyrazolyl)-1-pyrazolyl]methyl]benzoic acid IUPAC Name: 2-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2/c1-2-19-11-13(9-17-19)15-7-8-20(18-15)10-12-5-3-4-6-14(12)16(21)22/h3-9,11H,2,10H2,1H3,(H,21,22)