2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide

C15H17ClF5N5O — CID 19517540

About 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide (PubChem CID 19517540) has the molecular formula C15H17ClF5N5O and a molecular weight of 413.78 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
• PubChem CID: 19517540
• Molecular Formula: C15H17ClF5N5O
• Molecular Weight: 413.78 g/mol
• Exact Mass: 413.10
• IUPAC Name: 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
• SMILES: Cc1cc(C(F)(F)F)nn1CCCNC(=O)Cn1nc(C(F)F)c(Cl)c1C
• InChI: InChI=1S/C15H17ClF5N5O/c1-8-6-10(15(19,20)21)23-25(8)5-3-4-22-11(27)7-26-9(2)12(16)13(24-26)14(17)18/h6,14H,3-5,7H2,1-2H3,(H,22,27)
• InChIKey: TYVMLHYJSLOZKY-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.78
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide (CID 19517540) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide.

What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)Cn1nc(C(F)F)c(Cl)c1C.

What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

The InChIKey is TYVMLHYJSLOZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF5N5O/c1-8-6-10(15(19,20)21)23-25(8)5-3-4-22-11(27)7-26-9(2)12(16)13(24-26)14(17)18/h6,14H,3-5,7H2,1-2H3,(H,22,27).

What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide has a molecular weight of 413.78 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide is sourced from PubChem (CID 19517540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).