4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole
C236H406ClF2N39O5S4 — CID 158906943
Data last refreshed: (MolForge compound catalog, from PubChem)
About 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole
4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole (PubChem CID 158906943) has the molecular formula C236H406ClF2N39O5S4 and a molecular weight of 4071.83 g/mol. Its IUPAC name is 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole.
Molecular Properties
| Compound Name | 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole |
|---|---|
| PubChem CID | 158906943 |
| Molecular Formula | C236H406ClF2N39O5S4 |
| Molecular Weight | 4071.83 g/mol |
| Exact Mass | 4068.13 |
| IUPAC Name | 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole |
| SMILES | CC(C)C1CC(C(C)C)C1.CC(C)C1CC1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc2n(n1)CCC2C(C)C.CC(C)c1ccc(C#N)n1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1nn(C(C)C)cc1F.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.Cc1c(Cl)c(C(C)C)nn1C(C)C.Cc1c(F)c(C(C)C)nn1C(C)C.Cc1cc(C(C)C)n(C(C)C)n1 |
| InChI | InChI=1S/C13H17NS.C12H20N2.C11H16N2.C11H17N.C10H17ClN2.C10H17FN2.C10H18N2.C10H20.C9H15FN2.4C9H16N2.4C9H15NO.2C9H15NS.C9H19N.C9H18.2C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)10-5-6-14-12(10)7-11(13-14)9(3)4;1-8(2)11-6-5-10(7-12)13(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;2*1-6(2)10-9(11)8(5)13(12-10)7(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)9-8(10)5-12(11-9)7(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;7-10H,5-6H2,1-4H3;5-6,8-9H,1-4H3;5-9H,1-4H3;2*6-7H,1-5H3;6-8H,1-5H3;7-10H,5-6H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3,(H,10,11);6*5-7H,1-4H3;7-9H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3 |
| InChIKey | JGDVBEPLJZNXDH-UHFFFAOYSA-N |
| XLogP | 72.76 |
| TPSA | 528.44 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 287 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4071.83 |
| LogP ≤ 5 | 72.76 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 43 |
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