5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide

C26H19Cl2N3O3 — CID 19397909

About 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide

5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19397909) has the molecular formula C26H19Cl2N3O3 and a molecular weight of 492.36 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19397909
• Molecular Formula: C26H19Cl2N3O3
• Molecular Weight: 492.36 g/mol
• Exact Mass: 491.08
• IUPAC Name: 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc(COc2cccc(Cl)c2Cl)o1
• InChI: InChI=1S/C26H19Cl2N3O3/c27-22-9-4-10-23(25(22)28)33-16-20-11-12-24(34-20)26(32)30-19-13-29-31(15-19)14-18-7-3-6-17-5-1-2-8-21(17)18/h1-13,15H,14,16H2,(H,30,32)
• InChIKey: XPZCLNAOGNAPMU-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.36
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide (CID 19397909) is 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc(COc2cccc(Cl)c2Cl)o1.

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

The InChIKey is XPZCLNAOGNAPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O3/c27-22-9-4-10-23(25(22)28)33-16-20-11-12-24(34-20)26(32)30-19-13-29-31(15-19)14-18-7-3-6-17-5-1-2-8-21(17)18/h1-13,15H,14,16H2,(H,30,32).

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

5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 492.36 g/mol, XLogP of 6.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19397909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).