C93H83F20N19O7S7 — CID 159144862
azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 159144862) has the molecular formula C93H83F20N19O7S7 and a molecular weight of 2183.24 g/mol. Its IUPAC name is azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
| Compound Name | azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide |
|---|---|
| PubChem CID | 159144862 |
| Molecular Formula | C93H83F20N19O7S7 |
| Molecular Weight | 2183.24 g/mol |
| Exact Mass | 2181.44 |
| IUPAC Name | azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide |
| SMILES | CCC(CC)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N3CCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cccnc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cc(F)cc(F)c3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccco3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3cccs3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C17H12F5N3OS.C17H15F3N4OS.C16H20F3N3OS.C15H12F3N3O2S.C15H12F3N3OS2.C13H12F3N3OS/c1-25-15(17(20,21)22)7-12(24-25)13-2-3-14(27-13)16(26)23-8-9-4-10(18)6-11(19)5-9;1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11;1-4-10(5-2)9-20-15(23)13-7-6-12(24-13)11-8-14(16(17,18)19)22(3)21-11;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(22)19-8-9-3-2-6-23-9;1-18-11(13(14,15)16)7-8(17-18)9-3-4-10(21-9)12(20)19-5-2-6-19/h2-7H,8H2,1H3,(H,23,26);2-5,7,9-10H,6,8H2,1H3,(H,22,25);6-8,10H,4-5,9H2,1-3H3,(H,20,23);2*2-7H,8H2,1H3,(H,19,22);3-4,7H,2,5-6H2,1H3 |
| InChIKey | KIOAGRWQBTXVLN-UHFFFAOYSA-N |
| XLogP | 23.11 |
| TPSA | 298.76 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2183.24 |
| LogP ≤ 5 | 23.11 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |