ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate

C26H25N3O5 — CID 46094395

About ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate

ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate (PubChem CID 46094395) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate
• PubChem CID: 46094395
• Molecular Formula: C26H25N3O5
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.18
• IUPAC Name: ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate
• SMILES: CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)oc3C)c2)n(-c2ccc(OC)cc2)n1
• InChI: InChI=1S/C26H25N3O5/c1-5-33-26(31)23-15-24(29(28-23)20-9-11-21(32-4)12-10-20)18-7-6-8-19(14-18)27-25(30)22-13-16(2)34-17(22)3/h6-15H,5H2,1-4H3,(H,27,30)
• InChIKey: FHNYLWOAHQDLFW-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 95.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate?

The IUPAC name of ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate (CID 46094395) is ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate.

What is the SMILES notation for ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate?

The canonical SMILES for ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)oc3C)c2)n(-c2ccc(OC)cc2)n1.

What is the InChIKey of ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate?

The InChIKey is FHNYLWOAHQDLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-5-33-26(31)23-15-24(29(28-23)20-9-11-21(32-4)12-10-20)18-7-6-8-19(14-18)27-25(30)22-13-16(2)34-17(22)3/h6-15H,5H2,1-4H3,(H,27,30).

What are the key properties of ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate?

ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 459.50 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 46094395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).