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

C24H22ClN3O3 — CID 19401779

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

5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19401779) 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-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19401779
• Molecular Formula: C24H22ClN3O3
• Molecular Weight: 435.91 g/mol
• Exact Mass: 435.13
• IUPAC Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: Cc1ccc(Cn2cc(NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)cn2)cc1
• InChI: InChI=1S/C24H22ClN3O3/c1-16-3-5-18(6-4-16)13-28-14-20(12-26-28)27-24(29)23-10-8-21(31-23)15-30-22-9-7-19(25)11-17(22)2/h3-12,14H,13,15H2,1-2H3,(H,27,29)
• InChIKey: VOFZPKOJDVNZTI-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-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19401779) is 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)cn2)cc1.

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

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

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

5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-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-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19401779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).