N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide

C₁₇H₁₉N₃O₂ — CID 154880629

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 154880629) has the molecular formula C₁₇H₁₉N₃O₂ and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
• PubChem CID: 154880629
• Molecular Formula: C₁₇H₁₉N₃O₂
• Molecular Weight: 297.36 g/mol
• Exact Mass: 297.15
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
• SMILES: C=CC(=O)N(Cc1ccc2c(c1)CCO2)c1cnn(CC)c1
• InChI: InChI=1S/C17H19N3O2/c1-3-17(21)20(15-10-18-19(4-2)12-15)11-13-5-6-16-14(9-13)7-8-22-16/h3,5-6,9-10,12H,1,4,7-8,11H2,2H3
• InChIKey: XHGWLZVCLNNSQG-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.36
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 154880629) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide.

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide is C=CC(=O)N(Cc1ccc2c(c1)CCO2)c1cnn(CC)c1.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?

The InChIKey is XHGWLZVCLNNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-17(21)20(15-10-18-19(4-2)12-15)11-13-5-6-16-14(9-13)7-8-22-16/h3,5-6,9-10,12H,1,4,7-8,11H2,2H3.

What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 154880629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154880629 — identifiers, structure, computed properties (public domain)

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