About 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid
3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid (PubChem CID 158365011) has the molecular formula C107H82F6N12O14S
and a molecular weight of 1905.96 g/mol. Its IUPAC name is 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid.
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Frequently Asked Questions
What is the IUPAC name of 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid?
The IUPAC name of 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid (CID 158365011) is 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid is CC(F)C(F)(F)Oc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.CSc1ccccc1-n1ccc(-c2cccc(C(=O)O)c2)n1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)c(F)c1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)c(F)c1.Cc1cccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)c1F.O=C(O)c1cccc(-c2ccn(-c3ccc(-c4ccco4)cc3)n2)c1.
What is the InChIKey of 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid?
The InChIKey is GTXSJOPODDRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3.C19H15F3N2O3.3C17H13FN2O2.C17H14N2O2S/c23-20(24)16-4-1-3-15(13-16)18-10-11-22(21-18)17-8-6-14(7-9-17)19-5-2-12-25-19;1-12(20)19(21,22)27-16-7-5-15(6-8-16)24-10-9-17(23-24)13-3-2-4-14(11-13)18(25)26;1-11-4-2-7-15(16(11)18)20-9-8-14(19-20)12-5-3-6-13(10-12)17(21)22;2*1-11-5-6-16(14(18)9-11)20-8-7-15(19-20)12-3-2-4-13(10-12)17(21)22;1-22-16-8-3-2-7-15(16)19-10-9-14(18-19)12-5-4-6-13(11-12)17(20)21/h1-13H,(H,23,24);2-12H,1H3,(H,25,26);3*2-10H,1H3,(H,21,22);2-11H,1H3,(H,20,21).
What are the key properties of 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid?
3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid has a molecular weight of 1905.96 g/mol, XLogP of 24.08, 23 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(2-methylsulfanylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 158365011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).