1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole

C159H278N28O2S2 — CID 157449315

About 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole

1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole (PubChem CID 157449315) has the molecular formula C159H278N28O2S2 and a molecular weight of 2678.30 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole.

Molecular Properties

• Compound Name: 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole
• PubChem CID: 157449315
• Molecular Formula: C159H278N28O2S2
• Molecular Weight: 2678.30 g/mol
• Exact Mass: 2676.20
• IUPAC Name: 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole
• SMILES: CCc1nc(C(C)(C)C)n(C)n1.CCc1nc(C)c(C(C)(C)C)c(C)c1C.CCc1nc(C)c(C(C)(C)C)c(C)n1.CCc1nc(C)c(C(C)(C)C)n1C.CCc1nc(C)c(C(C)(C)C)o1.CCc1nc(C)c(C(C)(C)C)s1.CCc1nc(C)c(C(C)C)nc1C.CCc1nc(C)n(C(C)(C)C)c1C.CCc1nc(C)n(C(C)(C)C)n1.CCc1nn(C)c(C(C)C)c1C.CCc1nnc(C(C)(C)C)c(C)c1C.CCc1nnc(C(C)(C)C)n1C.CCc1noc(C(C)(C)C)c1C.CCc1nsc(C(C)(C)C)c1C.CCn1nc(C)c(C(C)(C)C)c1C
• InChI: InChI=1S/C14H23N.2C12H20N2.3C11H20N2.C11H18N2.C10H18N2.2C10H17NO.2C10H17NS.3C9H17N3/c1-8-12-9(2)10(3)13(11(4)15-12)14(5,6)7;1-7-10-13-8(2)11(9(3)14-10)12(4,5)6;1-7-10-8(2)9(3)11(14-13-10)12(4,5)6;1-7-9-12-8(2)10(13(9)6)11(3,4)5;1-7-13-9(3)10(8(2)12-13)11(4,5)6;1-7-10-8(2)13(9(3)12-10)11(4,5)6;1-6-10-8(4)13-11(7(2)3)9(5)12-10;1-6-9-8(4)10(7(2)3)12(5)11-9;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-7-10-11-8(12(7)5)9(2,3)4;1-6-7-10-8(9(2,3)4)12(5)11-7;1-6-8-10-7(2)12(11-8)9(3,4)5/h8H2,1-7H3;2*7H2,1-6H3;3*7H2,1-6H3;7H,6H2,1-5H3;7H,6H2,1-5H3;7*6H2,1-5H3
• InChIKey: BSPPHUJKPVFIAU-UHFFFAOYSA-N
• XLogP: 40.75
• TPSA: 331.48 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2678.30
LogP ≤ 5	40.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole?

The IUPAC name of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole (CID 157449315) is 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole.

What is the SMILES notation for 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole?

The canonical SMILES for 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole is CCc1nc(C(C)(C)C)n(C)n1.CCc1nc(C)c(C(C)(C)C)c(C)c1C.CCc1nc(C)c(C(C)(C)C)c(C)n1.CCc1nc(C)c(C(C)(C)C)n1C.CCc1nc(C)c(C(C)(C)C)o1.CCc1nc(C)c(C(C)(C)C)s1.CCc1nc(C)c(C(C)C)nc1C.CCc1nc(C)n(C(C)(C)C)c1C.CCc1nc(C)n(C(C)(C)C)n1.CCc1nn(C)c(C(C)C)c1C.CCc1nnc(C(C)(C)C)c(C)c1C.CCc1nnc(C(C)(C)C)n1C.CCc1noc(C(C)(C)C)c1C.CCc1nsc(C(C)(C)C)c1C.CCn1nc(C)c(C(C)(C)C)c1C.

What is the InChIKey of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole?

The InChIKey is BSPPHUJKPVFIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.2C12H20N2.3C11H20N2.C11H18N2.C10H18N2.2C10H17NO.2C10H17NS.3C9H17N3/c1-8-12-9(2)10(3)13(11(4)15-12)14(5,6)7;1-7-10-13-8(2)11(9(3)14-10)12(4,5)6;1-7-10-8(2)9(3)11(14-13-10)12(4,5)6;1-7-9-12-8(2)10(13(9)6)11(3,4)5;1-7-13-9(3)10(8(2)12-13)11(4,5)6;1-7-10-8(2)13(9(3)12-10)11(4,5)6;1-6-10-8(4)13-11(7(2)3)9(5)12-10;1-6-9-8(4)10(7(2)3)12(5)11-9;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-7-10-11-8(12(7)5)9(2,3)4;1-6-7-10-8(9(2,3)4)12(5)11-7;1-6-8-10-7(2)12(11-8)9(3,4)5/h8H2,1-7H3;2*7H2,1-6H3;3*7H2,1-6H3;7H,6H2,1-5H3;7H,6H2,1-5H3;7*6H2,1-5H3.

What are the key properties of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole?

1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole has a molecular weight of 2678.30 g/mol, XLogP of 40.75, 17 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;2-ethyl-3,6-dimethyl-5-propan-2-ylpyrazine;3-ethyl-1,4-dimethyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 157449315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).