1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

C₂₄H₂₄F₃N₅O₄ — CID 121078859

About 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 121078859) has the molecular formula C₂₄H₂₄F₃N₅O₄ and a molecular weight of 503.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 121078859
• Molecular Formula: C₂₄H₂₄F₃N₅O₄
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.18
• IUPAC Name: 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(N2CC(C(=O)NCCn3nc(-c4cccc(C(F)(F)F)c4)n(C)c3=O)CC2=O)cc1
• InChI: InChI=1S/C24H24F3N5O4/c1-30-21(15-4-3-5-17(12-15)24(25,26)27)29-32(23(30)35)11-10-28-22(34)16-13-20(33)31(14-16)18-6-8-19(36-2)9-7-18/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,28,34)
• InChIKey: MCLCWRMZJNVCIB-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 98.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 121078859) is 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCCn3nc(-c4cccc(C(F)(F)F)c4)n(C)c3=O)CC2=O)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is MCLCWRMZJNVCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4/c1-30-21(15-4-3-5-17(12-15)24(25,26)27)29-32(23(30)35)11-10-28-22(34)16-13-20(33)31(14-16)18-6-8-19(36-2)9-7-18/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,28,34).

What are the key properties of 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?

1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 121078859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121078859 — identifiers, structure, computed properties (public domain)

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