4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole

C48H77ClN14O2S — CID 159465546

About 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole

4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole (PubChem CID 159465546) has the molecular formula C48H77ClN14O2S and a molecular weight of 949.76 g/mol. Its IUPAC name is 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole
• PubChem CID: 159465546
• Molecular Formula: C48H77ClN14O2S
• Molecular Weight: 949.76 g/mol
• Exact Mass: 948.58
• IUPAC Name: 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole
• SMILES: Cc1cc(C)n(C)n1.Cc1cnn(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1Cl.Cc1noc(C)c1C
• InChI: InChI=1S/C7H12N2.C6H9ClN2.2C6H10N2.2C6H9NO.C6H9NS.C5H9N3/c1-5-6(2)8-9(4)7(5)3;1-4-6(7)5(2)9(3)8-4;1-5-4-7-8(3)6(5)2;1-5-4-6(2)8(3)7-5;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-6-5(2)8(3)7-4/h1-4H3;1-3H3;2*4H,1-3H3;4*1-3H3
• InChIKey: LVDAZUUSGTZCMU-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 166.94 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.76
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The IUPAC name of 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole (CID 159465546) is 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole.

What is the SMILES notation for 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The canonical SMILES for 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole is Cc1cc(C)n(C)n1.Cc1cnn(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1Cl.Cc1noc(C)c1C.

What is the InChIKey of 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The InChIKey is LVDAZUUSGTZCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H9ClN2.2C6H10N2.2C6H9NO.C6H9NS.C5H9N3/c1-5-6(2)8-9(4)7(5)3;1-4-6(7)5(2)9(3)8-4;1-5-4-7-8(3)6(5)2;1-5-4-6(2)8(3)7-5;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-6-5(2)8(3)7-4/h1-4H3;1-3H3;2*4H,1-3H3;4*1-3H3.

What are the key properties of 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole?

4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole has a molecular weight of 949.76 g/mol, XLogP of 10.81, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1,3,5-trimethylpyrazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 159465546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).