4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole

C58H74Cl2F11N15S — CID 160621325

About 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole

4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 160621325) has the molecular formula C58H74Cl2F11N15S and a molecular weight of 1293.29 g/mol. Its IUPAC name is 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole
• PubChem CID: 160621325
• Molecular Formula: C58H74Cl2F11N15S
• Molecular Weight: 1293.29 g/mol
• Exact Mass: 1291.52
• IUPAC Name: 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole
• SMILES: CCn1ncc(C)c1C.Cc1c(C(F)(F)F)nn(C)c1C.Cc1cc(C)n(C)n1.Cc1cnccc1C(F)(F)F.Cc1cnccc1Cl.Cc1cncnc1C.Cc1cncnc1C(F)(F)Cl.Cc1nc(C)c(C)s1.Cc1nn(C)c(C(F)(F)F)c1C
• InChI: InChI=1S/2C7H9F3N2.C7H6F3N.C7H12N2.C6H5ClF2N2.C6H6ClN.C6H10N2.C6H8N2.C6H9NS/c1-4-5(2)12(3)11-6(4)7(8,9)10;1-4-5(2)11-12(3)6(4)7(8,9)10;1-5-4-11-3-2-6(5)7(8,9)10;1-4-9-7(3)6(2)5-8-9;1-4-2-10-3-11-5(4)6(7,8)9;1-5-4-8-3-2-6(5)7;1-5-4-6(2)8(3)7-5;1-5-3-7-4-8-6(5)2;1-4-5(2)8-6(3)7-4/h2*1-3H3;2-4H,1H3;5H,4H2,1-3H3;2-3H,1H3;2-4H,1H3;4H,1-3H3;3-4H,1-2H3;1-3H3
• InChIKey: RGSVYQDFAJHBIZ-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 161.51 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 2
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.29
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole?

The IUPAC name of 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole (CID 160621325) is 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole.

What is the SMILES notation for 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole?

The canonical SMILES for 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole is CCn1ncc(C)c1C.Cc1c(C(F)(F)F)nn(C)c1C.Cc1cc(C)n(C)n1.Cc1cnccc1C(F)(F)F.Cc1cnccc1Cl.Cc1cncnc1C.Cc1cncnc1C(F)(F)Cl.Cc1nc(C)c(C)s1.Cc1nn(C)c(C(F)(F)F)c1C.

What is the InChIKey of 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole?

The InChIKey is RGSVYQDFAJHBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9F3N2.C7H6F3N.C7H12N2.C6H5ClF2N2.C6H6ClN.C6H10N2.C6H8N2.C6H9NS/c1-4-5(2)12(3)11-6(4)7(8,9)10;1-4-5(2)11-12(3)6(4)7(8,9)10;1-5-4-11-3-2-6(5)7(8,9)10;1-4-9-7(3)6(2)5-8-9;1-4-2-10-3-11-5(4)6(7,8)9;1-5-4-8-3-2-6(5)7;1-5-4-6(2)8(3)7-5;1-5-3-7-4-8-6(5)2;1-4-5(2)8-6(3)7-4/h2*1-3H3;2-4H,1H3;5H,4H2,1-3H3;2-3H,1H3;2-4H,1H3;4H,1-3H3;3-4H,1-2H3;1-3H3.

What are the key properties of 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole?

4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 1293.29 g/mol, XLogP of 16.36, 2 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 160621325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).