2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol

C₁₉H₁₆FN₅O — CID 139391716

About 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol

2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol (PubChem CID 139391716) has the molecular formula C₁₉H₁₆FN₅O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

• Compound Name: 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
• PubChem CID: 139391716
• Molecular Formula: C₁₉H₁₆FN₅O
• Molecular Weight: 349.37 g/mol
• Exact Mass: 349.13
• IUPAC Name: 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
• SMILES: Cc1cc(O)c(F)cc1Nc1cc(-c2ccc(-n3cccn3)cc2)[nH]n1
• InChI: InChI=1S/C19H16FN5O/c1-12-9-18(26)15(20)10-16(12)22-19-11-17(23-24-19)13-3-5-14(6-4-13)25-8-2-7-21-25/h2-11,26H,1H3,(H2,22,23,24)
• InChIKey: ZIBSIJMARIUUMN-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 78.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.37
LogP ≤ 5	4.16
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 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

The IUPAC name of 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol (CID 139391716) is 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol.

What is the SMILES notation for 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

The canonical SMILES for 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol is Cc1cc(O)c(F)cc1Nc1cc(-c2ccc(-n3cccn3)cc2)[nH]n1.

What is the InChIKey of 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

The InChIKey is ZIBSIJMARIUUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12-9-18(26)15(20)10-16(12)22-19-11-17(23-24-19)13-3-5-14(6-4-13)25-8-2-7-21-25/h2-11,26H,1H3,(H2,22,23,24).

What are the key properties of 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?

2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 349.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 139391716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139391716 — identifiers, structure, computed properties (public domain)

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