1-(benzotriazol-1-yl)-2-(4-fluorophenyl)-3-methyl-3H-pyrazole-4-carboxylic acid

Systemtic Name: 1-(benzotriazol-1-yl)-2-(4-fluorophenyl)-3-methyl-3H-pyrazole-4-carboxylic acid Openeye Name: 1-(benzotriazol-1-yl)-2-(4-fluorophenyl)-3-methyl-3H-pyrazole-4-carboxylic acid CAS Name: 1-(1-benzotriazolyl)-2-(4-fluorophenyl)-3-methyl-3H-pyrazole-4-carboxylic acid IUPAC Name: 1-(benzotriazol-1-yl)-2-(4-fluorophenyl)-3-methyl-3H-pyrazole-4-carboxylic acid Traditional Name: 1-(benzotriazol-1-yl)-2-(4-fluorophenyl)-3-methyl-3-pyrazoline-4-carboxylic acid Formula: C17H14FN5O2 MolecularWeight: 339.323763

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CN(N1C2=CC=C(C=C2)F)N3C4=CC=CC=C4N=N3)C(=O)O

Isomeric SMILES

CC1C(=CN(N1C2=CC=C(C=C2)F)N3C4=CC=CC=C4N=N3)C(=O)O

InChI

InChI=1S/C17H14FN5O2/c1-11-14(17(24)25)10-21(22(11)13-8-6-12(18)7-9-13)23-16-5-3-2-4-15(16)19-20-23/h2-11H,1H3,(H,24,25)