5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide

C21H25N3O3 — CID 19462556

About 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 19462556) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
• PubChem CID: 19462556
• Molecular Formula: C21H25N3O3
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.19
• IUPAC Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
• SMILES: CCn1ccc(C(C)NC(=O)c2ccc(COc3cc(C)ccc3C)o2)n1
• InChI: InChI=1S/C21H25N3O3/c1-5-24-11-10-18(23-24)16(4)22-21(25)19-9-8-17(27-19)13-26-20-12-14(2)6-7-15(20)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)
• InChIKey: CVTXSAFFXOKQIR-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide (CID 19462556) is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide is CCn1ccc(C(C)NC(=O)c2ccc(COc3cc(C)ccc3C)o2)n1.

What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

The InChIKey is CVTXSAFFXOKQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-24-11-10-18(23-24)16(4)22-21(25)19-9-8-17(27-19)13-26-20-12-14(2)6-7-15(20)3/h6-12,16H,5,13H2,1-4H3,(H,22,25).

What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19462556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).