5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide

C15H15F3N10O2 — CID 166377461

About 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide

5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 166377461) has the molecular formula C15H15F3N10O2 and a molecular weight of 424.35 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 166377461
• Molecular Formula: C15H15F3N10O2
• Molecular Weight: 424.35 g/mol
• Exact Mass: 424.13
• IUPAC Name: 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
• SMILES: Cc1nc(C(=O)NC2CC(=O)N(c3cnn(C)c3)C2)nn1-c1n[nH]c(C(F)(F)F)n1
• InChI: InChI=1S/C15H15F3N10O2/c1-7-20-11(25-28(7)14-22-13(23-24-14)15(16,17)18)12(30)21-8-3-10(29)27(5-8)9-4-19-26(2)6-9/h4,6,8H,3,5H2,1-2H3,(H,21,30)(H,22,23,24)
• InChIKey: CTFVWNMCTOWSSK-UHFFFAOYSA-N
• XLogP: -0.02
• TPSA: 139.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.35
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide (CID 166377461) is 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC2CC(=O)N(c3cnn(C)c3)C2)nn1-c1n[nH]c(C(F)(F)F)n1.

What is the InChIKey of 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

The InChIKey is CTFVWNMCTOWSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N10O2/c1-7-20-11(25-28(7)14-22-13(23-24-14)15(16,17)18)12(30)21-8-3-10(29)27(5-8)9-4-19-26(2)6-9/h4,6,8H,3,5H2,1-2H3,(H,21,30)(H,22,23,24).

What are the key properties of 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 424.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166377461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).