5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

C21H24ClN3O3 — CID 19417098

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 19417098) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
• PubChem CID: 19417098
• Molecular Formula: C21H24ClN3O3
• Molecular Weight: 401.89 g/mol
• Exact Mass: 401.15
• IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
• SMILES: CCn1ncc(C(C)NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c1C
• InChI: InChI=1S/C21H24ClN3O3/c1-5-25-15(4)18(11-23-25)14(3)24-21(26)20-9-7-17(28-20)12-27-16-6-8-19(22)13(2)10-16/h6-11,14H,5,12H2,1-4H3,(H,24,26)
• InChIKey: VCXJPKVARWWAAC-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.89
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (CID 19417098) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is CCn1ncc(C(C)NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c1C.

What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

The InChIKey is VCXJPKVARWWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-5-25-15(4)18(11-23-25)14(3)24-21(26)20-9-7-17(28-20)12-27-16-6-8-19(22)13(2)10-16/h6-11,14H,5,12H2,1-4H3,(H,24,26).

What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 401.89 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19417098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).