C100H95F18N21O7S6 — CID 160504218
N-benzyl-N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propan-2-ylthiophene-2-carboxamide;N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 160504218) has the molecular formula C100H95F18N21O7S6 and a molecular weight of 2237.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propan-2-ylthiophene-2-carboxamide;N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.
| Compound Name | N-benzyl-N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propan-2-ylthiophene-2-carboxamide;N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide |
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| PubChem CID | 160504218 |
| Molecular Formula | C100H95F18N21O7S6 |
| Molecular Weight | 2237.37 g/mol |
| Exact Mass | 2235.58 |
| IUPAC Name | N-benzyl-N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propan-2-ylthiophene-2-carboxamide;N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide |
| SMILES | CC(C)N(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccccc1.CCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCC#N)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCCn3ccnc3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C20H20F3N3OS.C19H18F3N3OS.C18H16F3N3OS.C16H16F3N5OS.C14H14F3N3O2S.C13H11F3N4OS/c1-13(2)26(12-14-7-5-4-6-8-14)19(27)17-10-9-16(28-17)15-11-18(20(21,22)23)25(3)24-15;1-3-25(12-13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-11-17(19(20,21)22)24(2)23-14;1-3-24(12-7-5-4-6-8-12)17(25)15-10-9-14(26-15)13-11-16(18(19,20)21)23(2)22-13;1-23-14(16(17,18)19)9-11(22-23)12-3-4-13(26-12)15(25)21-5-2-7-24-8-6-20-10-24;1-19-12(14(15,16)17)6-9(18-19)10-2-3-11(23-10)13(22)20-5-4-8(21)7-20;1-20-11(13(14,15)16)7-8(19-20)9-3-4-10(22-9)12(21)18-6-2-5-17/h4-11,13H,12H2,1-3H3;4-11H,3,12H2,1-2H3;4-11H,3H2,1-2H3;3-4,6,8-10H,2,5,7H2,1H3,(H,21,25);2-3,6,8,21H,4-5,7H2,1H3;3-4,7H,2,6H2,1H3,(H,18,21)/t;;;;8-;/m....1./s1 |
| InChIKey | QSEHBZZELLNKEN-ZVMHSERESA-N |
| XLogP | 23.25 |
| TPSA | 308.20 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 152 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2237.37 |
| LogP ≤ 5 | 23.25 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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