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

C26H27N3O3 — CID 19282463

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

5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 19282463) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide
• PubChem CID: 19282463
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: 5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide
• SMILES: Cc1cc(C)cc(OCc2ccc(C(=O)NCc3c(C)nn(-c4ccccc4)c3C)o2)c1
• InChI: InChI=1S/C26H27N3O3/c1-17-12-18(2)14-23(13-17)31-16-22-10-11-25(32-22)26(30)27-15-24-19(3)28-29(20(24)4)21-8-6-5-7-9-21/h5-14H,15-16H2,1-4H3,(H,27,30)
• InChIKey: RHRAHKCGXSZGFW-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 19282463) is 5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide is Cc1cc(C)cc(OCc2ccc(C(=O)NCc3c(C)nn(-c4ccccc4)c3C)o2)c1.

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

The InChIKey is RHRAHKCGXSZGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-12-18(2)14-23(13-17)31-16-22-10-11-25(32-22)26(30)27-15-24-19(3)28-29(20(24)4)21-8-6-5-7-9-21/h5-14H,15-16H2,1-4H3,(H,27,30).

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

5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19282463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).