1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene

C26H27N3O3 — CID 163264809

About 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene

1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene (PubChem CID 163264809) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene.

Molecular Properties

• Compound Name: 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene
• PubChem CID: 163264809
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene
• SMILES: CCC(=O)c1cc2nccc(-c3ccc4c(c3)CCO4)n2n1.CCOc1ccc(C)cc1
• InChI: InChI=1S/C17H15N3O2.C9H12O/c1-2-15(21)13-10-17-18-7-5-14(20(17)19-13)11-3-4-16-12(9-11)6-8-22-16;1-3-10-9-6-4-8(2)5-7-9/h3-5,7,9-10H,2,6,8H2,1H3;4-7H,3H2,1-2H3
• InChIKey: FSJQVWCMMWIREN-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene?

The IUPAC name of 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene (CID 163264809) is 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene.

What is the SMILES notation for 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene?

The canonical SMILES for 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene is CCC(=O)c1cc2nccc(-c3ccc4c(c3)CCO4)n2n1.CCOc1ccc(C)cc1.

What is the InChIKey of 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene?

The InChIKey is FSJQVWCMMWIREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.C9H12O/c1-2-15(21)13-10-17-18-7-5-14(20(17)19-13)11-3-4-16-12(9-11)6-8-22-16;1-3-10-9-6-4-8(2)5-7-9/h3-5,7,9-10H,2,6,8H2,1H3;4-7H,3H2,1-2H3.

What are the key properties of 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene?

1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene has a molecular weight of 429.52 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene is sourced from PubChem (CID 163264809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).