N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

C24H20Cl3N3O4 — CID 19405248

About N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19405248) has the molecular formula C24H20Cl3N3O4 and a molecular weight of 520.80 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19405248
• Molecular Formula: C24H20Cl3N3O4
• Molecular Weight: 520.80 g/mol
• Exact Mass: 519.05
• IUPAC Name: N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
• SMILES: CCOc1ccc(OCc2ccc(C(=O)Nc3nn(Cc4c(Cl)cccc4Cl)cc3Cl)o2)cc1
• InChI: InChI=1S/C24H20Cl3N3O4/c1-2-32-15-6-8-16(9-7-15)33-14-17-10-11-22(34-17)24(31)28-23-21(27)13-30(29-23)12-18-19(25)4-3-5-20(18)26/h3-11,13H,2,12,14H2,1H3,(H,28,29,31)
• InChIKey: MKCVFBPSXABQMV-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.80
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (CID 19405248) is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(OCc2ccc(C(=O)Nc3nn(Cc4c(Cl)cccc4Cl)cc3Cl)o2)cc1.

What is the InChIKey of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

The InChIKey is MKCVFBPSXABQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O4/c1-2-32-15-6-8-16(9-7-15)33-14-17-10-11-22(34-17)24(31)28-23-21(27)13-30(29-23)12-18-19(25)4-3-5-20(18)26/h3-11,13H,2,12,14H2,1H3,(H,28,29,31).

What are the key properties of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 520.80 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19405248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).