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

C23H19Cl2N3O3 — CID 19403189

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

5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19403189) has the molecular formula C23H19Cl2N3O3 and a molecular weight of 456.33 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19403189
• Molecular Formula: C23H19Cl2N3O3
• Molecular Weight: 456.33 g/mol
• Exact Mass: 455.08
• IUPAC Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: Cc1cc(Cl)ccc1OCc1ccc(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)o1
• InChI: InChI=1S/C23H19Cl2N3O3/c1-15-11-18(25)5-7-20(15)30-14-19-6-8-21(31-19)23(29)26-22-9-10-28(27-22)13-16-3-2-4-17(24)12-16/h2-12H,13-14H2,1H3,(H,26,27,29)
• InChIKey: ZZXOWSDEHGDRET-UHFFFAOYSA-N
• XLogP: 5.97
• 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	456.33
LogP ≤ 5	5.97
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-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19403189) is 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is Cc1cc(Cl)ccc1OCc1ccc(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)o1.

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

The InChIKey is ZZXOWSDEHGDRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c1-15-11-18(25)5-7-20(15)30-14-19-6-8-21(31-19)23(29)26-22-9-10-28(27-22)13-16-3-2-4-17(24)12-16/h2-12H,13-14H2,1H3,(H,26,27,29).

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

5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 5.97, 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-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19403189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).