5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide

C23H19ClFN3O3 — CID 95744605

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 95744605) has the molecular formula C23H19ClFN3O3 and a molecular weight of 439.87 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 95744605
• Molecular Formula: C23H19ClFN3O3
• Molecular Weight: 439.87 g/mol
• Exact Mass: 439.11
• IUPAC Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
• SMILES: O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(COc2ccc(F)cc2Cl)o1
• InChI: InChI=1S/C23H19ClFN3O3/c24-20-12-17(25)6-8-21(20)30-15-19-7-9-22(31-19)23(29)27-18-13-26-28(14-18)11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,27,29)
• InChIKey: HNWTZUAXYVSBSA-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.87
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide (CID 95744605) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(COc2ccc(F)cc2Cl)o1.

What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is HNWTZUAXYVSBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c24-20-12-17(25)6-8-21(20)30-15-19-7-9-22(31-19)23(29)27-18-13-26-28(14-18)11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,27,29).

What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 439.87 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 95744605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).