C165H227F3N14O14S2 — CID 160803739
1-benzyl-5-methyl-3-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-propan-2-yloxypyridine (PubChem CID 160803739) has the molecular formula C165H227F3N14O14S2 and a molecular weight of 2751.84 g/mol. Its IUPAC name is 1-benzyl-5-methyl-3-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-propan-2-yloxypyridine.
| Compound Name | 1-benzyl-5-methyl-3-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-propan-2-yloxypyridine |
|---|---|
| PubChem CID | 160803739 |
| Molecular Formula | C165H227F3N14O14S2 |
| Molecular Weight | 2751.84 g/mol |
| Exact Mass | 2749.69 |
| IUPAC Name | 1-benzyl-5-methyl-3-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-propan-2-yloxypyridine |
| SMILES | CC(C)(C)/C=C/c1ccncc1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)/C=C/c1cnn(C)c1.CC(C)C(=O)NCc1ccccc1OC(F)(F)F.CC(C)OCCc1ccccc1.CC(C)Oc1ccccn1.CC(C)c1cccc(S(C)(=O)=O)c1.CCS(=O)(=O)c1cccc(C(C)C)c1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COCc1cccc(C(C)C)c1.COc1ccccc1CC(=O)C(C)C.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1 |
| InChI | InChI=1S/C16H22N2.C14H23N3.C14H18N2.C14H17NO2.C12H14F3NO2.C12H15NO.C12H16O2.C11H15N.C11H16O2S.2C11H16O.C10H14O2S.C9H14N2.C8H11NO/c1-12(14-9-7-6-8-10-14)18-13(2)15(11-17-18)16(3,4)5;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;1-9(2)12-7-10-5-6-11(14(16)17-4)8-13(10)15(12)3;1-8(2)11(17)16-7-9-5-3-4-6-10(9)18-12(13,14)15;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-9(2)11(13)8-10-6-4-5-7-12(10)14-3;1-11(2,3)7-4-10-5-8-12-9-6-10;1-4-14(12,13)11-7-5-6-10(8-11)9(2)3;1-9(2)11-6-4-5-10(7-11)8-12-3;1-10(2)12-9-8-11-6-4-3-5-7-11;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)10-8-5-3-4-6-9-8/h6-12H,1-5H3;5-6,11H,7-10H2,1-4H3;4-9,11H,10H2,1-3H3;5-9H,1-4H3;3-6,8H,7H2,1-2H3,(H,16,17);4-5,7H,6H2,1-3H3,(H,13,14);4-7,9H,8H2,1-3H3;4-9H,1-3H3;5-9H,4H2,1-3H3;4-7,9H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3/b;;;;;;;7-4+;;;;;5-4+; |
| InChIKey | SDKLDQVLNIIGPZ-OXJUVJGDSA-N |
| XLogP | 38.01 |
| TPSA | 319.54 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.84 |
| LogP ≤ 5 | 38.01 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 26 |