C102H102ClF18N19O7S6 — CID 157174965
N-benzyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide (PubChem CID 157174965) has the molecular formula C102H102ClF18N19O7S6 and a molecular weight of 2275.88 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide.
| Compound Name | N-benzyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide |
|---|---|
| PubChem CID | 157174965 |
| Molecular Formula | C102H102ClF18N19O7S6 |
| Molecular Weight | 2275.88 g/mol |
| Exact Mass | 2273.59 |
| IUPAC Name | N-benzyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide |
| SMILES | CCCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCN(CC1CC1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cc1ccc(N(C)C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1.Cn1nc(-c2ccc(C(=O)N3CCC(O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C20H18ClF3N4OS.2C18H16F3N3OS.C17H20F3N3OS.C15H16F3N3O2S.C14H16F3N3OS/c1-26-18(20(22,23)24)12-15(25-26)16-6-7-17(30-16)19(29)28-10-8-27(9-11-28)14-4-2-13(21)3-5-14;1-11-4-6-12(7-5-11)23(2)17(25)15-9-8-14(26-15)13-10-16(18(19,20)21)24(3)22-13;1-23(11-12-6-4-3-5-7-12)17(25)15-9-8-14(26-15)13-10-16(18(19,20)21)24(2)22-13;1-3-8-23(10-11-4-5-11)16(24)14-7-6-13(25-14)12-9-15(17(18,19)20)22(2)21-12;1-20-13(15(16,17)18)8-10(19-20)11-2-3-12(24-11)14(23)21-6-4-9(22)5-7-21;1-4-7-19(2)13(21)11-6-5-10(22-11)9-8-12(14(15,16)17)20(3)18-9/h2-7,12H,8-11H2,1H3;4-10H,1-3H3;3-10H,11H2,1-2H3;6-7,9,11H,3-5,8,10H2,1-2H3;2-3,8-9,22H,4-7H2,1H3;5-6,8H,4,7H2,1-3H3 |
| InChIKey | ANXAEQJSRMBODD-UHFFFAOYSA-N |
| XLogP | 24.82 |
| TPSA | 252.25 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2275.88 |
| LogP ≤ 5 | 24.82 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 26 |