N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide

C26H24ClN3O2 — CID 19285496

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

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide (PubChem CID 19285496) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
• PubChem CID: 19285496
• Molecular Formula: C26H24ClN3O2
• Molecular Weight: 445.95 g/mol
• Exact Mass: 445.16
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
• SMILES: Cc1ccc(OCc2cccc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)c2)c(C)c1
• InChI: InChI=1S/C26H24ClN3O2/c1-18-10-11-24(19(2)14-18)32-17-20-6-5-8-21(15-20)26(31)28-25-12-13-30(29-25)16-22-7-3-4-9-23(22)27/h3-15H,16-17H2,1-2H3,(H,28,29,31)
• InChIKey: ZQRLOZSLIKRWIO-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.95
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide (CID 19285496) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide.

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

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide is Cc1ccc(OCc2cccc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)c2)c(C)c1.

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

The InChIKey is ZQRLOZSLIKRWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-18-10-11-24(19(2)14-18)32-17-20-6-5-8-21(15-20)26(31)28-25-12-13-30(29-25)16-22-7-3-4-9-23(22)27/h3-15H,16-17H2,1-2H3,(H,28,29,31).

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

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide has a molecular weight of 445.95 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide is sourced from PubChem (CID 19285496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).