3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide

C26H26FN3O4 — CID 42850496

About 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide

3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 42850496) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 42850496
• Molecular Formula: C26H26FN3O4
• Molecular Weight: 463.51 g/mol
• Exact Mass: 463.19
• IUPAC Name: 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
• SMILES: CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1
• InChI: InChI=1S/C26H26FN3O4/c1-3-24-23(14-15-25(31)28-17-22-5-4-16-33-22)26(34-21-10-6-18(27)7-11-21)30(29-24)19-8-12-20(32-2)13-9-19/h4-13,16H,3,14-15,17H2,1-2H3,(H,28,31)
• InChIKey: SAMDMGHOTMFAGK-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.51
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 42850496) is 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1.

What is the InChIKey of 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?

The InChIKey is SAMDMGHOTMFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-3-24-23(14-15-25(31)28-17-22-5-4-16-33-22)26(34-21-10-6-18(27)7-11-21)30(29-24)19-8-12-20(32-2)13-9-19/h4-13,16H,3,14-15,17H2,1-2H3,(H,28,31).

What are the key properties of 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?

3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 463.51 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 42850496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).