5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole

C110H183N21S2 — CID 159003402

IUPAC5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncs1.Cc1c(C(C)(C)C)cnn1C.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)n1C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C10H18N2.3C9H16N2.3C9H13N.3C8H14N2.C8H13NS.C7H12N2.C7H11NS/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-10-6-8(11(7)5)9(2,3)4;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-10(4)9-7;1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6/h1-6H3;3*6H,1-5H3;3*4-7H,1-3H3;3*5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyJRPUOBRNIJDJPE-UHFFFAOYSA-N
MW1863.95 g/mol
LogP27.60
Rot. Bonds

About 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole

5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole (PubChem CID 159003402) has the molecular formula C110H183N21S2 and a molecular weight of 1863.95 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole
PubChem CID159003402
Molecular FormulaC110H183N21S2
Molecular Weight1863.95 g/mol
Exact Mass1862.44
IUPAC Name5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncs1.Cc1c(C(C)(C)C)cnn1C.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)n1C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C10H18N2.3C9H16N2.3C9H13N.3C8H14N2.C8H13NS.C7H12N2.C7H11NS/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-10-6-8(11(7)5)9(2,3)4;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-10(4)9-7;1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6/h1-6H3;3*6H,1-5H3;3*4-7H,1-3H3;3*5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyJRPUOBRNIJDJPE-UHFFFAOYSA-N
XLogP27.60
TPSA217.87 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.95
LogP ≤ 527.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole (CID 159003402) is 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole is CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncs1.Cc1c(C(C)(C)C)cnn1C.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)n1C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1cncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
The InChIKey is JRPUOBRNIJDJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.3C9H16N2.3C9H13N.3C8H14N2.C8H13NS.C7H12N2.C7H11NS/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-10-6-8(11(7)5)9(2,3)4;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-10(4)9-7;1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6/h1-6H3;3*6H,1-5H3;3*4-7H,1-3H3;3*5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole has a molecular weight of 1863.95 g/mol, XLogP of 27.60, 0 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;5-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 159003402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).