2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide

C16H19F3N4O3 — CID 72718568

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide (PubChem CID 72718568) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
• PubChem CID: 72718568
• Molecular Formula: C16H19F3N4O3
• Molecular Weight: 372.35 g/mol
• Exact Mass: 372.14
• IUPAC Name: 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
• SMILES: O=C(CN1C(=O)CCC1=O)NCCn1nc(C(F)(F)F)c2c1CCCC2
• InChI: InChI=1S/C16H19F3N4O3/c17-16(18,19)15-10-3-1-2-4-11(10)23(21-15)8-7-20-12(24)9-22-13(25)5-6-14(22)26/h1-9H2,(H,20,24)
• InChIKey: QUNWYEGWTSANHP-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.35
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?

The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide (CID 72718568) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?

The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide is O=C(CN1C(=O)CCC1=O)NCCn1nc(C(F)(F)F)c2c1CCCC2.

What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?

The InChIKey is QUNWYEGWTSANHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c17-16(18,19)15-10-3-1-2-4-11(10)23(21-15)8-7-20-12(24)9-22-13(25)5-6-14(22)26/h1-9H2,(H,20,24).

What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide has a molecular weight of 372.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 72718568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).