5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide

C21H23Cl2N3O3 — CID 19453926

About 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 19453926) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
• PubChem CID: 19453926
• Molecular Formula: C21H23Cl2N3O3
• Molecular Weight: 436.34 g/mol
• Exact Mass: 435.11
• IUPAC Name: 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
• SMILES: CCn1nc(C)c(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1C
• InChI: InChI=1S/C21H23Cl2N3O3/c1-5-26-14(3)17(13(2)24-26)11-25(4)21(27)20-9-7-16(29-20)12-28-19-8-6-15(22)10-18(19)23/h6-10H,5,11-12H2,1-4H3
• InChIKey: WTUJHCCWUGHORA-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 60.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.34
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?

The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide (CID 19453926) is 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide.

What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?

The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide is CCn1nc(C)c(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1C.

What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?

The InChIKey is WTUJHCCWUGHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-5-26-14(3)17(13(2)24-26)11-25(4)21(27)20-9-7-16(29-20)12-28-19-8-6-15(22)10-18(19)23/h6-10H,5,11-12H2,1-4H3.

What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?

5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 436.34 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 19453926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).