2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide

C17H22N4O2 — CID 124754524

About 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide

2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 124754524) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide
• PubChem CID: 124754524
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide
• SMILES: Cc1c(NC(=O)CN(C)C[C@H]2Cc3ccccc3O2)cnn1C
• InChI: InChI=1S/C17H22N4O2/c1-12-15(9-18-21(12)3)19-17(22)11-20(2)10-14-8-13-6-4-5-7-16(13)23-14/h4-7,9,14H,8,10-11H2,1-3H3,(H,19,22)/t14-/m1/s1
• InChIKey: OEHYZTPDDKCRBY-CQSZACIVSA-N
• XLogP: 1.60
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?

The IUPAC name of 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide (CID 124754524) is 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide.

What is the SMILES notation for 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?

The canonical SMILES for 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CN(C)C[C@H]2Cc3ccccc3O2)cnn1C.

What is the InChIKey of 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?

The InChIKey is OEHYZTPDDKCRBY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15(9-18-21(12)3)19-17(22)11-20(2)10-14-8-13-6-4-5-7-16(13)23-14/h4-7,9,14H,8,10-11H2,1-3H3,(H,19,22)/t14-/m1/s1.

What are the key properties of 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide?

2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 124754524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).