1-[(4-cyano-2-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(4-cyano-2-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(4-cyano-2-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[(4-cyano-2-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(4-cyano-2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyano-2-fluoro-benzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C14H12FN3O2 MolecularWeight: 273.262383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)C#N)F)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)C#N)F)C)C(=O)O

InChI

InChI=1S/C14H12FN3O2/c1-8-13(14(19)20)9(2)18(17-8)7-11-4-3-10(6-16)5-12(11)15/h3-5H,7H2,1-2H3,(H,19,20)