2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane

C20H24ClN3OSi — CID 69370736

About 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane

2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 69370736) has the molecular formula C20H24ClN3OSi and a molecular weight of 385.97 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 69370736
• Molecular Formula: C20H24ClN3OSi
• Molecular Weight: 385.97 g/mol
• Exact Mass: 385.14
• IUPAC Name: 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1
• InChI: InChI=1S/C20H24ClN3OSi/c1-26(2,3)13-12-25-14-18-19(15-8-10-22-11-9-15)20(24-23-18)16-4-6-17(21)7-5-16/h4-11H,12-14H2,1-3H3,(H,23,24)
• InChIKey: URQKNTFXJPPJKJ-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.97
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane (CID 69370736) is 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1.

What is the InChIKey of 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is URQKNTFXJPPJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OSi/c1-26(2,3)13-12-25-14-18-19(15-8-10-22-11-9-15)20(24-23-18)16-4-6-17(21)7-5-16/h4-11H,12-14H2,1-3H3,(H,23,24).

What are the key properties of 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane?

2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 385.97 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69370736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).