C81H74F17N17O5S5 — CID 159346028
N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 159346028) has the molecular formula C81H74F17N17O5S5 and a molecular weight of 1848.90 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
| Compound Name | N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide |
|---|---|
| PubChem CID | 159346028 |
| Molecular Formula | C81H74F17N17O5S5 |
| Molecular Weight | 1848.90 g/mol |
| Exact Mass | 1847.44 |
| IUPAC Name | N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide |
| SMILES | Cn1nc(-c2ccc(C(=O)NCC3CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCN3CCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3ccccc3F)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccc(F)cc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccncc3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C18H15F4N3OS.C17H13F4N3OS.C16H13F3N4OS.C16H19F3N4OS.C14H14F3N3OS/c1-25-16(18(20,21)22)10-13(24-25)14-6-7-15(27-14)17(26)23-9-8-11-4-2-3-5-12(11)19;1-24-15(17(19,20)21)8-12(23-24)13-6-7-14(26-13)16(25)22-9-10-2-4-11(18)5-3-10;1-23-14(16(17,18)19)8-11(22-23)12-2-3-13(25-12)15(24)21-9-10-4-6-20-7-5-10;1-22-14(16(17,18)19)10-11(21-22)12-4-5-13(25-12)15(24)20-6-9-23-7-2-3-8-23;1-20-12(14(15,16)17)6-9(19-20)10-4-5-11(22-10)13(21)18-7-8-2-3-8/h2-7,10H,8-9H2,1H3,(H,23,26);2-8H,9H2,1H3,(H,22,25);2-8H,9H2,1H3,(H,21,24);4-5,10H,2-3,6-9H2,1H3,(H,20,24);4-6,8H,2-3,7H2,1H3,(H,18,21) |
| InChIKey | LGSUSJDRHFKHQC-UHFFFAOYSA-N |
| XLogP | 18.31 |
| TPSA | 250.73 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 125 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1848.90 |
| LogP ≤ 5 | 18.31 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 22 |