3-[[4-azanyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-azanyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid CAS Name: 3-[[4-amino-3-(trifluoromethyl)-1-pyrazolyl]methyl]benzoic acid IUPAC Name: 3-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-amino-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid Formula: C12H10F3N3O2 MolecularWeight: 285.22191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C(=N2)C(F)(F)F)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C(=N2)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C12H10F3N3O2/c13-12(14,15)10-9(16)6-18(17-10)5-7-2-1-3-8(4-7)11(19)20/h1-4,6H,5,16H2,(H,19,20)