N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C22H27N3O2 — CID 112761506

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 112761506) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• PubChem CID: 112761506
• Molecular Formula: C22H27N3O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.21
• IUPAC Name: N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• SMILES: Cc1cc2occ(CC(=O)Nc3ccnn3C(C)C3CC3)c2cc1C(C)C
• InChI: InChI=1S/C22H27N3O2/c1-13(2)18-11-19-17(12-27-20(19)9-14(18)3)10-22(26)24-21-7-8-23-25(21)15(4)16-5-6-16/h7-9,11-13,15-16H,5-6,10H2,1-4H3,(H,24,26)
• InChIKey: ITDNORANXPFOOJ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 112761506) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3ccnn3C(C)C3CC3)c2cc1C(C)C.

What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The InChIKey is ITDNORANXPFOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-13(2)18-11-19-17(12-27-20(19)9-14(18)3)10-22(26)24-21-7-8-23-25(21)15(4)16-5-6-16/h7-9,11-13,15-16H,5-6,10H2,1-4H3,(H,24,26).

What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 112761506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).