N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide

C25H21Cl2N3O3 — CID 19345330

About N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide (PubChem CID 19345330) has the molecular formula C25H21Cl2N3O3 and a molecular weight of 482.37 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
• PubChem CID: 19345330
• Molecular Formula: C25H21Cl2N3O3
• Molecular Weight: 482.37 g/mol
• Exact Mass: 481.10
• IUPAC Name: N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
• SMILES: COc1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(Cl)cc4Cl)n3)cc2)cc1
• InChI: InChI=1S/C25H21Cl2N3O3/c1-32-21-8-10-22(11-9-21)33-16-17-2-4-18(5-3-17)25(31)28-24-12-13-30(29-24)15-19-6-7-20(26)14-23(19)27/h2-14H,15-16H2,1H3,(H,28,29,31)
• InChIKey: OCXFHFHSFJVEJN-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.37
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide (CID 19345330) is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide.

What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide is COc1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(Cl)cc4Cl)n3)cc2)cc1.

What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

The InChIKey is OCXFHFHSFJVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3/c1-32-21-8-10-22(11-9-21)33-16-17-2-4-18(5-3-17)25(31)28-24-12-13-30(29-24)15-19-6-7-20(26)14-23(19)27/h2-14H,15-16H2,1H3,(H,28,29,31).

What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide?

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide has a molecular weight of 482.37 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19345330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).