2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C₁₉H₁₈ClN₃O₅ — CID 90205092

About 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205092) has the molecular formula C₁₉H₁₈ClN₃O₅ and a molecular weight of 403.82 g/mol. Its IUPAC name is 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
• PubChem CID: 90205092
• Molecular Formula: C₁₉H₁₈ClN₃O₅
• Molecular Weight: 403.82 g/mol
• Exact Mass: 403.09
• IUPAC Name: 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
• SMILES: COCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
• InChI: InChI=1S/C19H18ClN3O5/c1-26-8-9-27-16-11-15(20)3-2-14(16)12-28-18-5-7-22-23(18)17-10-13(19(24)25)4-6-21-17/h2-7,10-11H,8-9,12H2,1H3,(H,24,25)
• InChIKey: ZSYSQOMASXIARJ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 95.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.82
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205092) is 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is COCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.

What is the InChIKey of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

The InChIKey is ZSYSQOMASXIARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-26-8-9-27-16-11-15(20)3-2-14(16)12-28-18-5-7-22-23(18)17-10-13(19(24)25)4-6-21-17/h2-7,10-11H,8-9,12H2,1H3,(H,24,25).

What are the key properties of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?

2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 403.82 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90205092 — identifiers, structure, computed properties (public domain)

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