N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C25H24ClN3O4 — CID 19448267

About N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448267) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19448267
• Molecular Formula: C25H24ClN3O4
• Molecular Weight: 465.94 g/mol
• Exact Mass: 465.15
• IUPAC Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc(OCc2ccc(C(=O)Nc3cnn(COc4cccc(Cl)c4)c3)o2)cc1
• InChI: InChI=1S/C25H24ClN3O4/c1-17(2)18-6-8-21(9-7-18)31-15-23-10-11-24(33-23)25(30)28-20-13-27-29(14-20)16-32-22-5-3-4-19(26)12-22/h3-14,17H,15-16H2,1-2H3,(H,28,30)
• InChIKey: NBVPQUSKAMCDHO-UHFFFAOYSA-N
• XLogP: 6.12
• 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	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19448267) is N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)Nc3cnn(COc4cccc(Cl)c4)c3)o2)cc1.

What is the InChIKey of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is NBVPQUSKAMCDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-17(2)18-6-8-21(9-7-18)31-15-23-10-11-24(33-23)25(30)28-20-13-27-29(14-20)16-32-22-5-3-4-19(26)12-22/h3-14,17H,15-16H2,1-2H3,(H,28,30).

What are the key properties of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).