C127H133F23N24O7S6 — CID 159224225
[5-[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone (PubChem CID 159224225) has the molecular formula C127H133F23N24O7S6 and a molecular weight of 2736.98 g/mol. Its IUPAC name is [5-[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone.
| Compound Name | [5-[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone |
|---|---|
| PubChem CID | 159224225 |
| Molecular Formula | C127H133F23N24O7S6 |
| Molecular Weight | 2736.98 g/mol |
| Exact Mass | 2734.87 |
| IUPAC Name | [5-[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone |
| SMILES | Cc1cc(C(=O)N2CCCCC2)sc1-c1cc(C(F)(F)F)n(C)n1.Cn1nc(-c2ccc(CN3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2)s1.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)N1CCCCC1.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCCCC1.O=C(c1ccc(-c2cc(C(F)F)[nH]n2)s1)N1CCCCC1.O=C(c1ccc(-c2n[nH]c(C(F)(F)F)c2Cc2ccccc2)s1)N1CCCCC1.O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCCCC1 |
| InChI | InChI=1S/C21H20F3N3OS.C16H18F3N3OS.2C16H16F3N3O.C15H16F3N3OS.C15H18F3N3S.C14H14F3N3OS.C14H15F2N3OS/c22-21(23,24)19-15(13-14-7-3-1-4-8-14)18(25-26-19)16-9-10-17(29-16)20(28)27-11-5-2-6-12-27;1-10-8-12(15(23)22-6-4-3-5-7-22)24-14(10)11-9-13(16(17,18)19)21(2)20-11;17-16(18,19)14-10-13(20-21-14)11-4-6-12(7-5-11)15(23)22-8-2-1-3-9-22;17-16(18,19)14-10-13(20-21-14)11-5-4-6-12(9-11)15(23)22-7-2-1-3-8-22;1-20-10(9-13(19-20)15(16,17)18)11-5-6-12(23-11)14(22)21-7-3-2-4-8-21;1-20-14(15(16,17)18)9-12(19-20)13-6-5-11(22-13)10-21-7-3-2-4-8-21;15-14(16,17)12-8-9(18-19-12)10-4-5-11(22-10)13(21)20-6-2-1-3-7-20;15-13(16)10-8-9(17-18-10)11-4-5-12(21-11)14(20)19-6-2-1-3-7-19/h1,3-4,7-10H,2,5-6,11-13H2,(H,25,26);8-9H,3-7H2,1-2H3;4-7,10H,1-3,8-9H2,(H,20,21);4-6,9-10H,1-3,7-8H2,(H,20,21);5-6,9H,2-4,7-8H2,1H3;5-6,9H,2-4,7-8,10H2,1H3;4-5,8H,1-3,6-7H2,(H,18,19);4-5,8,13H,1-3,6-7H2,(H,17,18) |
| InChIKey | KSBUPLRTJAGFSP-UHFFFAOYSA-N |
| XLogP | 32.35 |
| TPSA | 342.27 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2736.98 |
| LogP ≤ 5 | 32.35 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |