OFGSQXXFYAJRNK-UHFFFAOYSA-N

C₁₉H₁₄F₃N₅O — CID 139391727

About OFGSQXXFYAJRNK-UHFFFAOYSA-N

OFGSQXXFYAJRNK-UHFFFAOYSA-N (PubChem CID 139391727) has the molecular formula C₁₉H₁₄F₃N₅O and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: OFGSQXXFYAJRNK-UHFFFAOYSA-N
• PubChem CID: 139391727
• Molecular Formula: C₁₉H₁₄F₃N₅O
• Molecular Weight: 385.35 g/mol
• Exact Mass: 385.12
• IUPAC Name: 4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol
• SMILES: Oc1ccc(Nc2cc(-c3ccc(-n4cccn4)cc3)[nH]n2)c(C(F)(F)F)c1
• InChI: InChI=1S/C19H14F3N5O/c20-19(21,22)15-10-14(28)6-7-16(15)24-18-11-17(25-26-18)12-2-4-13(5-3-12)27-9-1-8-23-27/h1-11,28H,(H2,24,25,26)
• InChIKey: OFGSQXXFYAJRNK-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 78.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.35
LogP ≤ 5	4.73
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 OFGSQXXFYAJRNK-UHFFFAOYSA-N?

The IUPAC name of OFGSQXXFYAJRNK-UHFFFAOYSA-N (CID 139391727) is 4-[[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol.

What is the SMILES notation for OFGSQXXFYAJRNK-UHFFFAOYSA-N?

The canonical SMILES for OFGSQXXFYAJRNK-UHFFFAOYSA-N is Oc1ccc(Nc2cc(-c3ccc(-n4cccn4)cc3)[nH]n2)c(C(F)(F)F)c1.

What is the InChIKey of OFGSQXXFYAJRNK-UHFFFAOYSA-N?

The InChIKey is OFGSQXXFYAJRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)15-10-14(28)6-7-16(15)24-18-11-17(25-26-18)12-2-4-13(5-3-12)27-9-1-8-23-27/h1-11,28H,(H2,24,25,26).

What are the key properties of OFGSQXXFYAJRNK-UHFFFAOYSA-N?

OFGSQXXFYAJRNK-UHFFFAOYSA-N has a molecular weight of 385.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for OFGSQXXFYAJRNK-UHFFFAOYSA-N is sourced from PubChem (CID 139391727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139391727 — identifiers, structure, computed properties (public domain)

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