N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide

C26H23Cl2N3O3 — CID 19393000

About N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide (PubChem CID 19393000) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
• PubChem CID: 19393000
• Molecular Formula: C26H23Cl2N3O3
• Molecular Weight: 496.39 g/mol
• Exact Mass: 495.11
• IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
• SMILES: COc1ccc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)c(Cl)c4)n3)cc2)cc1
• InChI: InChI=1S/C26H23Cl2N3O3/c1-17-13-25(30-31(17)15-19-5-12-23(27)24(28)14-19)29-26(32)20-6-3-18(4-7-20)16-34-22-10-8-21(33-2)9-11-22/h3-14H,15-16H2,1-2H3,(H,29,30,32)
• InChIKey: JGJLHOOHNSRHQV-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 N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide (CID 19393000) is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide.

What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide is COc1ccc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)c(Cl)c4)n3)cc2)cc1.

What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

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

What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide 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 N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19393000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).