N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

C24H21Cl2N3O4 — CID 19395530

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19395530) has the molecular formula C24H21Cl2N3O4 and a molecular weight of 486.36 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19395530
• Molecular Formula: C24H21Cl2N3O4
• Molecular Weight: 486.36 g/mol
• Exact Mass: 485.09
• IUPAC Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
• SMILES: CCOc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4c(Cl)cccc4Cl)c3)o2)cc1
• InChI: InChI=1S/C24H21Cl2N3O4/c1-2-31-17-6-8-18(9-7-17)32-15-19-10-11-23(33-19)24(30)28-16-12-27-29(13-16)14-20-21(25)4-3-5-22(20)26/h3-13H,2,14-15H2,1H3,(H,28,30)
• InChIKey: IULSWZZTRGEPKS-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.36
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (CID 19395530) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4c(Cl)cccc4Cl)c3)o2)cc1.

What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

The InChIKey is IULSWZZTRGEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O4/c1-2-31-17-6-8-18(9-7-17)32-15-19-10-11-23(33-19)24(30)28-16-12-27-29(13-16)14-20-21(25)4-3-5-22(20)26/h3-13H,2,14-15H2,1H3,(H,28,30).

What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 486.36 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19395530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).