N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

C25H24ClN3O4 — CID 19411485

About N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19411485) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19411485
• Molecular Formula: C25H24ClN3O4
• Molecular Weight: 465.94 g/mol
• Exact Mass: 465.15
• IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
• SMILES: CCOc1ccc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4cccc(Cl)c4)n3)o2)cc1
• InChI: InChI=1S/C25H24ClN3O4/c1-3-31-20-7-9-21(10-8-20)32-16-22-11-12-23(33-22)25(30)27-24-13-17(2)29(28-24)15-18-5-4-6-19(26)14-18/h4-14H,3,15-16H2,1-2H3,(H,27,28,30)
• InChIKey: APJHKQFQICPRFC-UHFFFAOYSA-N
• XLogP: 5.72
• 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	465.94
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (CID 19411485) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4cccc(Cl)c4)n3)o2)cc1.

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

The InChIKey is APJHKQFQICPRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-3-31-20-7-9-21(10-8-20)32-16-22-11-12-23(33-22)25(30)27-24-13-17(2)29(28-24)15-18-5-4-6-19(26)14-18/h4-14H,3,15-16H2,1-2H3,(H,27,28,30).

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

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19411485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).