5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H17N3O4 — CID 70925698

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925698) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 70925698
• Molecular Formula: C17H17N3O4
• Molecular Weight: 327.34 g/mol
• Exact Mass: 327.12
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: CCOCc1c[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc12
• InChI: InChI=1S/C17H17N3O4/c1-2-22-10-12-9-18-20-16(21)8-13(19-17(12)20)11-3-4-14-15(7-11)24-6-5-23-14/h3-4,7-9,18H,2,5-6,10H2,1H3
• InChIKey: FDHDCUAQYJFUDT-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 77.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.34
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925698) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCOCc1c[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc12.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is FDHDCUAQYJFUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-22-10-12-9-18-20-16(21)8-13(19-17(12)20)11-3-4-14-15(7-11)24-6-5-23-14/h3-4,7-9,18H,2,5-6,10H2,1H3.

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 327.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).