2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine

C₁₈H₁₉N₅O₂ — CID 154881106

About 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine

2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine (PubChem CID 154881106) has the molecular formula C₁₈H₁₉N₅O₂ and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine.

Molecular Properties

• Compound Name: 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
• PubChem CID: 154881106
• Molecular Formula: C₁₈H₁₉N₅O₂
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.15
• IUPAC Name: 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
• SMILES: Cn1cc(CN2CC2COc2ccc(Oc3cnccn3)cc2)cn1
• InChI: InChI=1S/C18H19N5O2/c1-22-10-14(8-21-22)11-23-12-15(23)13-24-16-2-4-17(5-3-16)25-18-9-19-6-7-20-18/h2-10,15H,11-13H2,1H3
• InChIKey: HUOWJPQHLQZNMI-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 65.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?

The IUPAC name of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine (CID 154881106) is 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine.

What is the SMILES notation for 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?

The canonical SMILES for 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine is Cn1cc(CN2CC2COc2ccc(Oc3cnccn3)cc2)cn1.

What is the InChIKey of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?

The InChIKey is HUOWJPQHLQZNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-10-14(8-21-22)11-23-12-15(23)13-24-16-2-4-17(5-3-16)25-18-9-19-6-7-20-18/h2-10,15H,11-13H2,1H3.

What are the key properties of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?

2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine has a molecular weight of 337.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine is sourced from PubChem (CID 154881106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154881106 — identifiers, structure, computed properties (public domain)

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