4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol

C₁₈H₁₅FN₄O — CID 139392381

About 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol

4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol (PubChem CID 139392381) has the molecular formula C₁₈H₁₅FN₄O and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol.

Molecular Properties

• Compound Name: 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol
• PubChem CID: 139392381
• Molecular Formula: C₁₈H₁₅FN₄O
• Molecular Weight: 322.34 g/mol
• Exact Mass: 322.12
• IUPAC Name: 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol
• SMILES: Cc1cc(O)ccc1Nc1n[nH]c(-c2c[nH]c3ccccc23)c1F
• InChI: InChI=1S/C18H15FN4O/c1-10-8-11(24)6-7-14(10)21-18-16(19)17(22-23-18)13-9-20-15-5-3-2-4-12(13)15/h2-9,20,24H,1H3,(H2,21,22,23)
• InChIKey: OLKQBGJQYUIJFM-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 76.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.34
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol?

The IUPAC name of 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol (CID 139392381) is 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol.

What is the SMILES notation for 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol?

The canonical SMILES for 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol is Cc1cc(O)ccc1Nc1n[nH]c(-c2c[nH]c3ccccc23)c1F.

What is the InChIKey of 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol?

The InChIKey is OLKQBGJQYUIJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-10-8-11(24)6-7-14(10)21-18-16(19)17(22-23-18)13-9-20-15-5-3-2-4-12(13)15/h2-9,20,24H,1H3,(H2,21,22,23).

What are the key properties of 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol?

4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol has a molecular weight of 322.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl]amino]-3-methylphenol is sourced from PubChem (CID 139392381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139392381 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.