C82H88F15N17O7S5 — CID 159552330
N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 159552330) has the molecular formula C82H88F15N17O7S5 and a molecular weight of 1869.02 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.
| Compound Name | N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide |
|---|---|
| PubChem CID | 159552330 |
| Molecular Formula | C82H88F15N17O7S5 |
| Molecular Weight | 1869.02 g/mol |
| Exact Mass | 1867.54 |
| IUPAC Name | N-(2-cyanoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide |
| SMILES | CN(CCc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)N(CCO)C3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC3CO)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCC#N)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCCN3CCCC3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C19H18F3N3OS.C18H22F3N3O2S.C17H21F3N4OS.C15H16F3N3O2S.C13H11F3N4OS/c1-24(11-10-13-6-4-3-5-7-13)18(26)16-9-8-15(27-16)14-12-17(19(20,21)22)25(2)23-14;1-23-16(18(19,20)21)11-13(22-23)14-7-8-15(27-14)17(26)24(9-10-25)12-5-3-2-4-6-12;1-23-15(17(18,19)20)11-12(22-23)13-5-6-14(26-13)16(25)21-7-4-10-24-8-2-3-9-24;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(21)8-22;1-20-11(13(14,15)16)7-8(19-20)9-3-4-10(22-9)12(21)18-6-2-5-17/h3-9,12H,10-11H2,1-2H3;7-8,11-12,25H,2-6,9-10H2,1H3;5-6,11H,2-4,7-10H2,1H3,(H,21,25);4-5,7,9,22H,2-3,6,8H2,1H3;3-4,7H,2,6H2,1H3,(H,18,21) |
| InChIKey | MFNXZQXXVWDRKK-UHFFFAOYSA-N |
| XLogP | 17.37 |
| TPSA | 275.72 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 126 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1869.02 |
| LogP ≤ 5 | 17.37 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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