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

C20H24ClN3OSi — CID 69370736

IUPAC2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=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)
InChIKeyURQKNTFXJPPJKJ-UHFFFAOYSA-N
MW385.97 g/mol
LogP5.65
Rot. Bonds7

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 Name2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID69370736
Molecular FormulaC20H24ClN3OSi
Molecular Weight385.97 g/mol
Exact Mass385.14
IUPAC Name2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=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)
InChIKeyURQKNTFXJPPJKJ-UHFFFAOYSA-N
XLogP5.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.97
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).