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

C24H22ClN3O3 — CID 19284882

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

5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19284882) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19284882
• Molecular Formula: C24H22ClN3O3
• Molecular Weight: 435.91 g/mol
• Exact Mass: 435.13
• IUPAC Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: Cc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3C)o2)n1
• InChI: InChI=1S/C24H22ClN3O3/c1-16-5-3-4-6-18(16)14-28-12-11-23(27-28)26-24(29)22-10-8-20(31-22)15-30-21-9-7-19(25)13-17(21)2/h3-13H,14-15H2,1-2H3,(H,26,27,29)
• InChIKey: FBACHSLCGYDCHP-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.91
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19284882) is 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3C)o2)n1.

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

The InChIKey is FBACHSLCGYDCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16-5-3-4-6-18(16)14-28-12-11-23(27-28)26-24(29)22-10-8-20(31-22)15-30-21-9-7-19(25)13-17(21)2/h3-13H,14-15H2,1-2H3,(H,26,27,29).

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

5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19284882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).