1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole

C64H100F6N14S4 — CID 160586252

About 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole

1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 160586252) has the molecular formula C64H100F6N14S4 and a molecular weight of 1307.86 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
• PubChem CID: 160586252
• Molecular Formula: C64H100F6N14S4
• Molecular Weight: 1307.86 g/mol
• Exact Mass: 1306.70
• IUPAC Name: 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
• SMILES: CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1cncn1C.CC(C)c1csc(C(F)(F)F)n1.CC(C)c1cscn1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1nc(C(C)C)cs1
• InChI: InChI=1S/2C8H14N2.2C7H8F3NS.3C7H12N2.C7H11NS.C6H9NS/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6/h2*5-6H,1-4H3;2*3-4H,1-2H3;3*4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3
• InChIKey: RCKTXUNFEZGPBT-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 140.66 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1307.86
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?

The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole (CID 160586252) is 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole.

What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?

The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole is CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1cncn1C.CC(C)c1csc(C(F)(F)F)n1.CC(C)c1cscn1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1nc(C(C)C)cs1.

What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?

The InChIKey is RCKTXUNFEZGPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.2C7H8F3NS.3C7H12N2.C7H11NS.C6H9NS/c1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6/h2*5-6H,1-4H3;2*3-4H,1-2H3;3*4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3.

What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?

1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 1307.86 g/mol, XLogP of 19.75, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 160586252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).