4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol

C₁₆H₂₀FN₃O — CID 126666082

About 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol

4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol (PubChem CID 126666082) has the molecular formula C₁₆H₂₀FN₃O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol.

Molecular Properties

• Compound Name: 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol
• PubChem CID: 126666082
• Molecular Formula: C₁₆H₂₀FN₃O
• Molecular Weight: 289.35 g/mol
• Exact Mass: 289.16
• IUPAC Name: 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol
• SMILES: Nc1cc(C(CCC2CC2)N2C=CNC=C2O)ccc1F
• InChI: InChI=1S/C16H20FN3O/c17-13-5-4-12(9-14(13)18)15(6-3-11-1-2-11)20-8-7-19-10-16(20)21/h4-5,7-11,15,19,21H,1-3,6,18H2
• InChIKey: REYUNWFFKONRIM-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 61.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.35
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?

The IUPAC name of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol (CID 126666082) is 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol.

What is the SMILES notation for 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?

The canonical SMILES for 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol is Nc1cc(C(CCC2CC2)N2C=CNC=C2O)ccc1F.

What is the InChIKey of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?

The InChIKey is REYUNWFFKONRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-5-4-12(9-14(13)18)15(6-3-11-1-2-11)20-8-7-19-10-16(20)21/h4-5,7-11,15,19,21H,1-3,6,18H2.

What are the key properties of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?

4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol has a molecular weight of 289.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol is sourced from PubChem (CID 126666082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126666082 — identifiers, structure, computed properties (public domain)

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