C174H236FN15O12S3 — CID 159833978
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;5-tert-butyl-2-phenylmethoxypyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzenesulfonamide (PubChem CID 159833978) has the molecular formula C174H236FN15O12S3 and a molecular weight of 2845.09 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;5-tert-butyl-2-phenylmethoxypyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzenesulfonamide.
| 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;5-tert-butyl-2-phenylmethoxypyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzenesulfonamide |
|---|---|
| PubChem CID | 159833978 |
| Molecular Formula | C174H236FN15O12S3 |
| Molecular Weight | 2845.09 g/mol |
| Exact Mass | 2842.75 |
| 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;5-tert-butyl-2-phenylmethoxypyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzenesulfonamide |
| SMILES | CC(C)(C)/C=C/c1ccncc1.CC(C)(C)c1ccc(OCc2ccccc2)nc1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc(S(N)(=O)=O)c1.CCS(=O)(=O)c1cccc(C(C)C)c1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CNC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COCc1cccc(C(C)C)c1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1.Cc1ccc(C(C)C)cc1F.Cc1nn([C@@H](C)c2ccccc2)cc1C(C)C |
| InChI | InChI=1S/C16H22N2.C16H19NO.C15H20N2.C14H23N3.C14H18N2.C14H17NO2.C12H15NO.C11H15NO.C11H15N.C11H16O2S.C11H16O.C10H13F.C10H14O2S.C9H13NO2S/c1-12(14-9-7-6-8-10-14)18-13(2)15(11-17-18)16(3,4)5;1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13;1-11(2)15-10-17(16-12(15)3)13(4)14-8-6-5-7-9-14;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;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-8(2)9-5-4-6-10(7-9)11(13)12-3;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;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h6-12H,1-5H3;4-11H,12H2,1-3H3;5-11,13H,1-4H3;5-6,11H,7-10H2,1-4H3;4-9,11H,10H2,1-3H3;5-9H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3,(H,12,13);4-9H,1-3H3;5-9H,4H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;7-4+;;;;;/t;;13-;;;;;;;;;;;/m..0.........../s1 |
| InChIKey | NNUXPCKQTUIDMW-DVXCQVJTSA-N |
| XLogP | 40.84 |
| TPSA | 334.94 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2845.09 |
| LogP ≤ 5 | 40.84 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 24 |