2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide

C14H18F3N5O3 — CID 72930708

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide (PubChem CID 72930708) has the molecular formula C14H18F3N5O3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
• PubChem CID: 72930708
• Molecular Formula: C14H18F3N5O3
• Molecular Weight: 361.32 g/mol
• Exact Mass: 361.14
• IUPAC Name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
• SMILES: Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)CN2C(=O)CNC2=O)n1
• InChI: InChI=1S/C14H18F3N5O3/c1-8(6-22-10(14(15,16)17)3-9(2)20-22)4-18-11(23)7-21-12(24)5-19-13(21)25/h3,8H,4-7H2,1-2H3,(H,18,23)(H,19,25)
• InChIKey: BUUJWYIWDJVNCY-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.32
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide (CID 72930708) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide.

What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)CN2C(=O)CNC2=O)n1.

What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

The InChIKey is BUUJWYIWDJVNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O3/c1-8(6-22-10(14(15,16)17)3-9(2)20-22)4-18-11(23)7-21-12(24)5-19-13(21)25/h3,8H,4-7H2,1-2H3,(H,18,23)(H,19,25).

What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide?

2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide has a molecular weight of 361.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide is sourced from PubChem (CID 72930708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).