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

C20H23N3O3 — CID 19331041

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

5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 19331041) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
• PubChem CID: 19331041
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
• SMILES: CCn1ccc(CNC(=O)c2ccc(COc3cc(C)ccc3C)o2)n1
• InChI: InChI=1S/C20H23N3O3/c1-4-23-10-9-16(22-23)12-21-20(24)18-8-7-17(26-18)13-25-19-11-14(2)5-6-15(19)3/h5-11H,4,12-13H2,1-3H3,(H,21,24)
• InChIKey: AGJRURHFGLUFTC-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	3.62
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-ethylpyrazol-3-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide (CID 19331041) is 5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide is CCn1ccc(CNC(=O)c2ccc(COc3cc(C)ccc3C)o2)n1.

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

The InChIKey is AGJRURHFGLUFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23-10-9-16(22-23)12-21-20(24)18-8-7-17(26-18)13-25-19-11-14(2)5-6-15(19)3/h5-11H,4,12-13H2,1-3H3,(H,21,24).

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

5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.62, 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-ethylpyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19331041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).