[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate

C16H19F3N4O3 — CID 8783065

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate (PubChem CID 8783065) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate.

Molecular Properties

• Compound Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
• PubChem CID: 8783065
• Molecular Formula: C16H19F3N4O3
• Molecular Weight: 372.35 g/mol
• Exact Mass: 372.14
• IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
• SMILES: Cc1cc2nc(C)c(CCC(=O)OCC(=O)NCC(F)(F)F)c(C)n2n1
• InChI: InChI=1S/C16H19F3N4O3/c1-9-6-13-21-10(2)12(11(3)23(13)22-9)4-5-15(25)26-7-14(24)20-8-16(17,18)19/h6H,4-5,7-8H2,1-3H3,(H,20,24)
• InChIKey: QVTXGWKOYAFGFC-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.35
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?

The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate (CID 8783065) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate.

What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?

The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate is Cc1cc2nc(C)c(CCC(=O)OCC(=O)NCC(F)(F)F)c(C)n2n1.

What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?

The InChIKey is QVTXGWKOYAFGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-9-6-13-21-10(2)12(11(3)23(13)22-9)4-5-15(25)26-7-14(24)20-8-16(17,18)19/h6H,4-5,7-8H2,1-3H3,(H,20,24).

What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate has a molecular weight of 372.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate is sourced from PubChem (CID 8783065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).