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

C26H20ClN3O3 — CID 19283666

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19283666) has the molecular formula C26H20ClN3O3 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19283666
• Molecular Formula: C26H20ClN3O3
• Molecular Weight: 457.92 g/mol
• Exact Mass: 457.12
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccc(COc2cccc3ccccc23)o1
• InChI: InChI=1S/C26H20ClN3O3/c27-20-10-8-18(9-11-20)16-30-15-14-25(29-30)28-26(31)24-13-12-21(33-24)17-32-23-7-3-5-19-4-1-2-6-22(19)23/h1-15H,16-17H2,(H,28,29,31)
• InChIKey: UIFSORCBXGWQKY-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.92
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19283666) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccc(COc2cccc3ccccc23)o1.

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

The InChIKey is UIFSORCBXGWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O3/c27-20-10-8-18(9-11-20)16-30-15-14-25(29-30)28-26(31)24-13-12-21(33-24)17-32-23-7-3-5-19-4-1-2-6-22(19)23/h1-15H,16-17H2,(H,28,29,31).

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19283666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).