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

C25H24ClN3O3 — CID 19454586

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

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19454586) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19454586
• Molecular Formula: C25H24ClN3O3
• Molecular Weight: 449.94 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
• SMILES: CCCc1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)o2)cc1
• InChI: InChI=1S/C25H24ClN3O3/c1-2-4-18-7-9-21(10-8-18)31-17-22-11-12-23(32-22)25(30)27-24-13-14-29(28-24)16-19-5-3-6-20(26)15-19/h3,5-15H,2,4,16-17H2,1H3,(H,27,28,30)
• InChIKey: YKLJMFLDSJLLCS-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.94
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (CID 19454586) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)o2)cc1.

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

The InChIKey is YKLJMFLDSJLLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-2-4-18-7-9-21(10-8-18)31-17-22-11-12-23(32-22)25(30)27-24-13-14-29(28-24)16-19-5-3-6-20(26)15-19/h3,5-15H,2,4,16-17H2,1H3,(H,27,28,30).

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

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 5.96, 9 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]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).