4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

C27H28N4O5 — CID 19400249

About 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19400249) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
• PubChem CID: 19400249
• Molecular Formula: C27H28N4O5
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.21
• IUPAC Name: 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
• SMILES: CCOc1ccc(OCc2cccc(C(=O)Nc3cn(CC)nc3C(=O)NCc3ccco3)c2)cc1
• InChI: InChI=1S/C27H28N4O5/c1-3-31-17-24(25(30-31)27(33)28-16-23-9-6-14-35-23)29-26(32)20-8-5-7-19(15-20)18-36-22-12-10-21(11-13-22)34-4-2/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,33)(H,29,32)
• InChIKey: ZEOZBHPEURWOPR-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 107.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

The IUPAC name of 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 19400249) is 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

What is the SMILES notation for 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

The canonical SMILES for 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCOc1ccc(OCc2cccc(C(=O)Nc3cn(CC)nc3C(=O)NCc3ccco3)c2)cc1.

What is the InChIKey of 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

The InChIKey is ZEOZBHPEURWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-3-31-17-24(25(30-31)27(33)28-16-23-9-6-14-35-23)29-26(32)20-8-5-7-19(15-20)18-36-22-12-10-21(11-13-22)34-4-2/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,33)(H,29,32).

What are the key properties of 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19400249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).