[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

C20H19N5O5 — CID 90637026

About [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90637026) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
• PubChem CID: 90637026
• Molecular Formula: C20H19N5O5
• Molecular Weight: 409.40 g/mol
• Exact Mass: 409.14
• IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
• SMILES: COc1nccnc1OC1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C1
• InChI: InChI=1S/C20H19N5O5/c1-27-18-19(22-6-5-21-18)30-13-4-7-25(10-13)20(26)15-9-14(23-24-15)12-2-3-16-17(8-12)29-11-28-16/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,23,24)
• InChIKey: QYRFHOYCSIUPGA-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 111.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.40
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?

The IUPAC name of [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (CID 90637026) is [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?

The canonical SMILES for [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is COc1nccnc1OC1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C1.

What is the InChIKey of [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?

The InChIKey is QYRFHOYCSIUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5/c1-27-18-19(22-6-5-21-18)30-13-4-7-25(10-13)20(26)15-9-14(23-24-15)12-2-3-16-17(8-12)29-11-28-16/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,23,24).

What are the key properties of [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?

[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 409.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90637026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).