bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C83H135N17O2S5 — CID 158477238

About bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158477238) has the molecular formula C83H135N17O2S5 and a molecular weight of 1563.44 g/mol. Its IUPAC name is bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• PubChem CID: 158477238
• Molecular Formula: C83H135N17O2S5
• Molecular Weight: 1563.44 g/mol
• Exact Mass: 1561.96
• IUPAC Name: bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1ccn(C)n1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1nccs1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1
• InChI: InChI=1S/2C8H14N2.2C7H12N2.2C7H11NO.3C7H11NS.C6H10N2.2C6H9NS/c2*1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h2*5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
• InChIKey: HHBWUUMUOZXGTC-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 227.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1563.44
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The IUPAC name of bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158477238) is bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

What is the SMILES notation for bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The canonical SMILES for bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)c1ccn(C)n1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1nccs1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.

What is the InChIKey of bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The InChIKey is HHBWUUMUOZXGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.2C7H12N2.2C7H11NO.3C7H11NS.C6H10N2.2C6H9NS/c2*1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h2*5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.

What are the key properties of bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1563.44 g/mol, XLogP of 25.09, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158477238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).