3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide

C26H23Cl2N3O3 — CID 19335177

About 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide

3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide (PubChem CID 19335177) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
• PubChem CID: 19335177
• Molecular Formula: C26H23Cl2N3O3
• Molecular Weight: 496.39 g/mol
• Exact Mass: 495.11
• IUPAC Name: 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3Cl)n2)cc1COc1ccc(Cl)cc1
• InChI: InChI=1S/C26H23Cl2N3O3/c1-17-13-25(30-31(17)15-19-5-3-4-6-23(19)28)29-26(32)18-7-12-24(33-2)20(14-18)16-34-22-10-8-21(27)9-11-22/h3-14H,15-16H2,1-2H3,(H,29,30,32)
• InChIKey: LKBOOYMZCFAMJJ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.39
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?

The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide (CID 19335177) is 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide.

What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?

The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3Cl)n2)cc1COc1ccc(Cl)cc1.

What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?

The InChIKey is LKBOOYMZCFAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O3/c1-17-13-25(30-31(17)15-19-5-3-4-6-23(19)28)29-26(32)18-7-12-24(33-2)20(14-18)16-34-22-10-8-21(27)9-11-22/h3-14H,15-16H2,1-2H3,(H,29,30,32).

What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?

3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 496.39 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 19335177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).