WPESTWIANQBENM-UHFFFAOYSA-N

C₁₇H₁₄FN₃O₃ — CID 86725572

About WPESTWIANQBENM-UHFFFAOYSA-N

WPESTWIANQBENM-UHFFFAOYSA-N (PubChem CID 86725572) has the molecular formula C₁₇H₁₄FN₃O₃ and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: WPESTWIANQBENM-UHFFFAOYSA-N
• PubChem CID: 86725572
• Molecular Formula: C₁₇H₁₄FN₃O₃
• Molecular Weight: 327.32 g/mol
• Exact Mass: 327.10
• IUPAC Name: 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
• SMILES: Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F
• InChI: InChI=1S/C17H14FN3O3/c1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
• InChIKey: WPESTWIANQBENM-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 77.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.32
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of WPESTWIANQBENM-UHFFFAOYSA-N?

The IUPAC name of WPESTWIANQBENM-UHFFFAOYSA-N (CID 86725572) is 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

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

The canonical SMILES for WPESTWIANQBENM-UHFFFAOYSA-N is Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F.

What is the InChIKey of WPESTWIANQBENM-UHFFFAOYSA-N?

The InChIKey is WPESTWIANQBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23).

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

WPESTWIANQBENM-UHFFFAOYSA-N has a molecular weight of 327.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for WPESTWIANQBENM-UHFFFAOYSA-N is sourced from PubChem (CID 86725572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86725572 — identifiers, structure, computed properties (public domain)

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