1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

C23H26N4O3 — CID 110261325

About 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 110261325) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
• PubChem CID: 110261325
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
• SMILES: COc1ccccc1OCCc1cc(C2CCN(C(=O)Cc3ccccn3)C2)n[nH]1
• InChI: InChI=1S/C23H26N4O3/c1-29-21-7-2-3-8-22(21)30-13-10-19-14-20(26-25-19)17-9-12-27(16-17)23(28)15-18-6-4-5-11-24-18/h2-8,11,14,17H,9-10,12-13,15-16H2,1H3,(H,25,26)
• InChIKey: JWKMPTKUFASMIA-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (CID 110261325) is 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is COc1ccccc1OCCc1cc(C2CCN(C(=O)Cc3ccccn3)C2)n[nH]1.

What is the InChIKey of 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

The InChIKey is JWKMPTKUFASMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-21-7-2-3-8-22(21)30-13-10-19-14-20(26-25-19)17-9-12-27(16-17)23(28)15-18-6-4-5-11-24-18/h2-8,11,14,17H,9-10,12-13,15-16H2,1H3,(H,25,26).

What are the key properties of 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 406.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 110261325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).