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

Systemtic Name: 4-[4-(3-oxidanylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-(3-hydroxypropyl)-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Formula: C14H13F3N2O3 MolecularWeight: 314.25983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C=C(C(=N2)C(F)(F)F)CCCO

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C=C(C(=N2)C(F)(F)F)CCCO

InChI

InChI=1S/C14H13F3N2O3/c15-14(16,17)12-10(2-1-7-20)8-19(18-12)11-5-3-9(4-6-11)13(21)22/h3-6,8,20H,1-2,7H2,(H,21,22)