1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C22H19F3N4O2 — CID 110243486

About 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 110243486) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 110243486
• Molecular Formula: C22H19F3N4O2
• Molecular Weight: 428.41 g/mol
• Exact Mass: 428.15
• IUPAC Name: 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cc5ccccc5o4)C3)cc2n1
• InChI: InChI=1S/C22H19F3N4O2/c1-2-15-10-19(22(23,24)25)29-20(26-15)11-16(27-29)14-7-8-28(12-14)21(30)18-9-13-5-3-4-6-17(13)31-18/h3-6,9-11,14H,2,7-8,12H2,1H3
• InChIKey: SEVNMSGMZSNBJA-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 63.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.41
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 110243486) is 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cc5ccccc5o4)C3)cc2n1.

What is the InChIKey of 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is SEVNMSGMZSNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-2-15-10-19(22(23,24)25)29-20(26-15)11-16(27-29)14-7-8-28(12-14)21(30)18-9-13-5-3-4-6-17(13)31-18/h3-6,9-11,14H,2,7-8,12H2,1H3.

What are the key properties of 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?

1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 428.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran-2-yl-[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110243486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).