C112H99F26N21O10 — CID 158749353
2,4-diethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]furan-3-carboxamide;2-(difluoromethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylfuran-3-carboxamide;1-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 158749353) has the molecular formula C112H99F26N21O10 and a molecular weight of 2393.11 g/mol. Its IUPAC name is 2,4-diethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]furan-3-carboxamide;2-(difluoromethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylfuran-3-carboxamide;1-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide.
| Compound Name | 2,4-diethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]furan-3-carboxamide;2-(difluoromethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylfuran-3-carboxamide;1-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide |
|---|---|
| PubChem CID | 158749353 |
| Molecular Formula | C112H99F26N21O10 |
| Molecular Weight | 2393.11 g/mol |
| Exact Mass | 2391.75 |
| IUPAC Name | 2,4-diethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]furan-3-carboxamide;2-(difluoromethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylfuran-3-carboxamide;1-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide |
| SMILES | CC(C)n1nccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.CCn1cccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cc1coc(C(C)C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cc1coc(C(F)F)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cc1coc(C)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1 |
| InChI | InChI=1S/2C20H19F4N3O2.C18H13F6N3O2.C18H17F4N5O.C18H16F4N4O.C18H15F4N3O2/c1-10(2)18-17(11(3)9-29-18)19(28)25-12-5-6-13(14(21)7-12)15-8-16(20(22,23)24)26-27(15)4;1-4-11-10-29-16(5-2)18(11)19(28)25-12-6-7-13(14(21)8-12)15-9-17(20(22,23)24)26-27(15)3;1-8-7-29-15(16(20)21)14(8)17(28)25-9-3-4-10(11(19)5-9)12-6-13(18(22,23)24)26-27(12)2;1-10(2)27-14(6-7-23-27)17(28)24-11-4-5-12(13(19)8-11)15-9-16(18(20,21)22)25-26(15)3;1-3-26-8-4-5-14(26)17(27)23-11-6-7-12(13(19)9-11)15-10-16(18(20,21)22)24-25(15)2;1-9-8-27-10(2)16(9)17(26)23-11-4-5-12(13(19)6-11)14-7-15(18(20,21)22)24-25(14)3/h5-10H,1-4H3,(H,25,28);6-10H,4-5H2,1-3H3,(H,25,28);3-7,16H,1-2H3,(H,25,28);4-10H,1-3H3,(H,24,28);4-10H,3H2,1-2H3,(H,23,27);4-8H,1-3H3,(H,23,26) |
| InChIKey | INGWUOOCZHREJB-UHFFFAOYSA-N |
| XLogP | 29.37 |
| TPSA | 356.83 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2393.11 |
| LogP ≤ 5 | 29.37 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |