5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide

C25H24ClN3O4 — CID 19417168

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19417168) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19417168
• Molecular Formula: C25H24ClN3O4
• Molecular Weight: 465.94 g/mol
• Exact Mass: 465.15
• IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: Cc1ccc(OCn2cc(NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)cn2)c(C)c1
• InChI: InChI=1S/C25H24ClN3O4/c1-16-4-8-23(18(3)10-16)32-15-29-13-19(12-27-29)28-25(30)24-9-6-21(33-24)14-31-20-5-7-22(26)17(2)11-20/h4-13H,14-15H2,1-3H3,(H,28,30)
• InChIKey: BDXBFSCTFXHYRC-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.94
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19417168) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is Cc1ccc(OCn2cc(NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)cn2)c(C)c1.

What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is BDXBFSCTFXHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-16-4-8-23(18(3)10-16)32-15-29-13-19(12-27-29)28-25(30)24-9-6-21(33-24)14-31-20-5-7-22(26)17(2)11-20/h4-13H,14-15H2,1-3H3,(H,28,30).

What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19417168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).