4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

C₁₂H₂₃N₃O — CID 103012254

About 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (PubChem CID 103012254) has the molecular formula C₁₂H₂₃N₃O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

• Compound Name: 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
• PubChem CID: 103012254
• Molecular Formula: C₁₂H₂₃N₃O
• Molecular Weight: 225.34 g/mol
• Exact Mass: 225.18
• IUPAC Name: 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
• SMILES: CCC(OC)C(CCc1cnn(C)c1)NC
• InChI: InChI=1S/C12H23N3O/c1-5-12(16-4)11(13-2)7-6-10-8-14-15(3)9-10/h8-9,11-13H,5-7H2,1-4H3
• InChIKey: SLMNOJFCJNCFGJ-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 39.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.34
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?

The IUPAC name of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (CID 103012254) is 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.

What is the SMILES notation for 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?

The canonical SMILES for 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is CCC(OC)C(CCc1cnn(C)c1)NC.

What is the InChIKey of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?

The InChIKey is SLMNOJFCJNCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(16-4)11(13-2)7-6-10-8-14-15(3)9-10/h8-9,11-13H,5-7H2,1-4H3.

What are the key properties of 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?

4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 103012254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103012254 — identifiers, structure, computed properties (public domain)

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