N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide

C28H35N7O4 — CID 162223075

About N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide

N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide (PubChem CID 162223075) has the molecular formula C28H35N7O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide
• PubChem CID: 162223075
• Molecular Formula: C28H35N7O4
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.28
• IUPAC Name: N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(O)c(-c2ccnn2C)c1.CC(=O)Nc1ccc(OCCN(C)C)c(-c2ccnn2C)c1
• InChI: InChI=1S/C16H22N4O2.C12H13N3O2/c1-12(21)18-13-5-6-16(22-10-9-19(2)3)14(11-13)15-7-8-17-20(15)4;1-8(16)14-9-3-4-12(17)10(7-9)11-5-6-13-15(11)2/h5-8,11H,9-10H2,1-4H3,(H,18,21);3-7,17H,1-2H3,(H,14,16)
• InChIKey: ZUJWBBKWYOHREX-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 126.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide?

The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide (CID 162223075) is N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide.

What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide?

The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(O)c(-c2ccnn2C)c1.CC(=O)Nc1ccc(OCCN(C)C)c(-c2ccnn2C)c1.

What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide?

The InChIKey is ZUJWBBKWYOHREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.C12H13N3O2/c1-12(21)18-13-5-6-16(22-10-9-19(2)3)14(11-13)15-7-8-17-20(15)4;1-8(16)14-9-3-4-12(17)10(7-9)11-5-6-13-15(11)2/h5-8,11H,9-10H2,1-4H3,(H,18,21);3-7,17H,1-2H3,(H,14,16).

What are the key properties of N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide?

N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide has a molecular weight of 533.63 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 162223075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).