C162H127ClF24N30O16S10 — CID 163463724
2-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-6-(trifluoromethyl)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-(difluoromethyl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2,2-difluoro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-benzodioxole-4-carboxamide;2-ethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 163463724) has the molecular formula C162H127ClF24N30O16S10 and a molecular weight of 3562.07 g/mol. Its IUPAC name is 2-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-6-(trifluoromethyl)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-(difluoromethyl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2,2-difluoro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-benzodioxole-4-carboxamide;2-ethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-6-(trifluoromethyl)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-(difluoromethyl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2,2-difluoro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-benzodioxole-4-carboxamide;2-ethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 163463724 |
| Molecular Formula | C162H127ClF24N30O16S10 |
| Molecular Weight | 3562.07 g/mol |
| Exact Mass | 3558.66 |
| IUPAC Name | 2-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-6-(trifluoromethyl)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-(difluoromethyl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2,2-difluoro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-benzodioxole-4-carboxamide;2-ethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide |
| SMILES | CCc1ccccc1C(=O)NCc1cc(-c2cccs2)n[nH]1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1c(Cl)cccc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1cccc(C(F)(F)F)c1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1cccc(OC(F)(F)F)c1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1cccc2c1OC(F)(F)O2.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1C(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OCC(F)(F)F |
| InChI | InChI=1S/C17H14F3N3O2S.C17H17N3OS.C16H11ClF3N3OS.2C16H12F3N3O2S.2C16H12F3N3OS.C16H11F2N3O3S.C16H13F2N3O2S.C16H13F2N3OS/c18-17(19,20)10-25-14-5-2-1-4-12(14)16(24)21-9-11-8-13(23-22-11)15-6-3-7-26-15;1-2-12-6-3-4-7-14(12)17(21)18-11-13-10-15(20-19-13)16-8-5-9-22-16;17-11-4-1-3-10(16(18,19)20)14(11)15(24)21-8-9-7-12(23-22-9)13-5-2-6-25-13;17-16(18,19)24-12-4-1-3-10(7-12)15(23)20-9-11-8-13(22-21-11)14-5-2-6-25-14;17-16(18,19)24-13-5-2-1-4-11(13)15(23)20-9-10-8-12(22-21-10)14-6-3-7-25-14;17-16(18,19)11-4-1-3-10(7-11)15(23)20-9-12-8-13(22-21-12)14-5-2-6-24-14;17-16(18,19)12-5-2-1-4-11(12)15(23)20-9-10-8-13(22-21-10)14-6-3-7-24-14;17-16(18)23-12-4-1-3-10(14(12)24-16)15(22)19-8-9-7-11(21-20-9)13-5-2-6-25-13;17-16(18)23-13-5-2-1-4-11(13)15(22)19-9-10-8-12(21-20-10)14-6-3-7-24-14;17-15(18)11-4-1-2-5-12(11)16(22)19-9-10-8-13(21-20-10)14-6-3-7-23-14/h1-8H,9-10H2,(H,21,24)(H,22,23);3-10H,2,11H2,1H3,(H,18,21)(H,19,20);1-7H,8H2,(H,21,24)(H,22,23);2*1-8H,9H2,(H,20,23)(H,21,22);2*1-8H,9H2,(H,20,23)(H,21,22);1-7H,8H2,(H,19,22)(H,20,21);1-8,16H,9H2,(H,19,22)(H,20,21);1-8,15H,9H2,(H,19,22)(H,20,21) |
| InChIKey | BQTFOEUFKPMHMN-UHFFFAOYSA-N |
| XLogP | 39.55 |
| TPSA | 633.18 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 243 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3562.07 |
| LogP ≤ 5 | 39.55 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 36 |