N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

C23H20FN3O4 — CID 19410019

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19410019) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19410019
• Molecular Formula: C23H20FN3O4
• Molecular Weight: 421.43 g/mol
• Exact Mass: 421.14
• IUPAC Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
• SMILES: COc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)o2)cc1
• InChI: InChI=1S/C23H20FN3O4/c1-29-19-6-8-20(9-7-19)30-15-21-10-11-22(31-21)23(28)26-18-12-25-27(14-18)13-16-2-4-17(24)5-3-16/h2-12,14H,13,15H2,1H3,(H,26,28)
• InChIKey: FTTIOLWYTYSYOC-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.43
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19410019) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)o2)cc1.

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

The InChIKey is FTTIOLWYTYSYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-29-19-6-8-20(9-7-19)30-15-21-10-11-22(31-21)23(28)26-18-12-25-27(14-18)13-16-2-4-17(24)5-3-16/h2-12,14H,13,15H2,1H3,(H,26,28).

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19410019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).