1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea

C17H22N4O2 — CID 71967567

About 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea

1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea (PubChem CID 71967567) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea.

Molecular Properties

• Compound Name: 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
• PubChem CID: 71967567
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
• SMILES: CCc1cc(NC(=O)NC(C)C2COc3ccccc32)n(C)n1
• InChI: InChI=1S/C17H22N4O2/c1-4-12-9-16(21(3)20-12)19-17(22)18-11(2)14-10-23-15-8-6-5-7-13(14)15/h5-9,11,14H,4,10H2,1-3H3,(H2,18,19,22)
• InChIKey: XBNKUOBSGCYBLS-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?

The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea (CID 71967567) is 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea.

What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?

The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea is CCc1cc(NC(=O)NC(C)C2COc3ccccc32)n(C)n1.

What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?

The InChIKey is XBNKUOBSGCYBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12-9-16(21(3)20-12)19-17(22)18-11(2)14-10-23-15-8-6-5-7-13(14)15/h5-9,11,14H,4,10H2,1-3H3,(H2,18,19,22).

What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?

1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 71967567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).