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

C23H18Cl3N3O3 — CID 19411443

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

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19411443) has the molecular formula C23H18Cl3N3O3 and a molecular weight of 490.77 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19411443
• Molecular Formula: C23H18Cl3N3O3
• Molecular Weight: 490.77 g/mol
• Exact Mass: 489.04
• IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)nn1Cc1cccc(Cl)c1
• InChI: InChI=1S/C23H18Cl3N3O3/c1-14-9-22(28-29(14)12-15-3-2-4-16(24)10-15)27-23(30)21-8-6-18(32-21)13-31-20-7-5-17(25)11-19(20)26/h2-11H,12-13H2,1H3,(H,27,28,30)
• InChIKey: AONKTOXOELHNIY-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.77
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (CID 19411443) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)nn1Cc1cccc(Cl)c1.

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

The InChIKey is AONKTOXOELHNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3/c1-14-9-22(28-29(14)12-15-3-2-4-16(24)10-15)27-23(30)21-8-6-18(32-21)13-31-20-7-5-17(25)11-19(20)26/h2-11H,12-13H2,1H3,(H,27,28,30).

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

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 490.77 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19411443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).