5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

C24H22FN3O3 — CID 19285027

About 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19285027) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19285027
• Molecular Formula: C24H22FN3O3
• Molecular Weight: 419.46 g/mol
• Exact Mass: 419.16
• IUPAC Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)o2)c1
• InChI: InChI=1S/C24H22FN3O3/c1-16-3-4-17(2)22(13-16)30-15-20-9-10-21(31-20)24(29)26-23-11-12-28(27-23)14-18-5-7-19(25)8-6-18/h3-13H,14-15H2,1-2H3,(H,26,27,29)
• InChIKey: RVTWCGBAEVMYKS-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.46
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19285027) is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)o2)c1.

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

The InChIKey is RVTWCGBAEVMYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-16-3-4-17(2)22(13-16)30-15-20-9-10-21(31-20)24(29)26-23-11-12-28(27-23)14-18-5-7-19(25)8-6-18/h3-13H,14-15H2,1-2H3,(H,26,27,29).

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

5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19285027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).