3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol

C₂₀H₁₉N₅O — CID 139391969

About 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol

3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol (PubChem CID 139391969) has the molecular formula C₂₀H₁₉N₅O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

• Compound Name: 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
• PubChem CID: 139391969
• Molecular Formula: C₂₀H₁₉N₅O
• Molecular Weight: 345.41 g/mol
• Exact Mass: 345.16
• IUPAC Name: 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
• SMILES: CCc1cc(O)ccc1Nc1cc(-c2ccc(-n3cccn3)cc2)[nH]n1
• InChI: InChI=1S/C20H19N5O/c1-2-14-12-17(26)8-9-18(14)22-20-13-19(23-24-20)15-4-6-16(7-5-15)25-11-3-10-21-25/h3-13,26H,2H2,1H3,(H2,22,23,24)
• InChIKey: KJSXXPMGIXTGFK-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 78.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.41
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

The IUPAC name of 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol (CID 139391969) is 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol.

What is the SMILES notation for 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

The canonical SMILES for 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol is CCc1cc(O)ccc1Nc1cc(-c2ccc(-n3cccn3)cc2)[nH]n1.

What is the InChIKey of 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

The InChIKey is KJSXXPMGIXTGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-14-12-17(26)8-9-18(14)22-20-13-19(23-24-20)15-4-6-16(7-5-15)25-11-3-10-21-25/h3-13,26H,2H2,1H3,(H2,22,23,24).

What are the key properties of 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 345.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 139391969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139391969 — identifiers, structure, computed properties (public domain)

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