N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C23H29N3O3 — CID 19448194

About N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448194) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19448194
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: CCn1ncc(C(C)NC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)c1C
• InChI: InChI=1S/C23H29N3O3/c1-6-26-17(5)21(13-24-26)16(4)25-23(27)22-12-11-20(29-22)14-28-19-9-7-18(8-10-19)15(2)3/h7-13,15-16H,6,14H2,1-5H3,(H,25,27)
• InChIKey: XCLBOVFQZBILKC-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19448194) is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CCn1ncc(C(C)NC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)c1C.

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

The InChIKey is XCLBOVFQZBILKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-6-26-17(5)21(13-24-26)16(4)25-23(27)22-12-11-20(29-22)14-28-19-9-7-18(8-10-19)15(2)3/h7-13,15-16H,6,14H2,1-5H3,(H,25,27).

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

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).