2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane

C18H24FIN2OSi — CID 151267971

IUPAC2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccc(F)cc2)c(I)c1C1CC1
InChIInChI=1S/C18H24FIN2OSi/c1-24(2,3)11-10-23-12-22-18(14-4-5-14)16(20)17(21-22)13-6-8-15(19)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyNVTAGXZUBOWKHR-UHFFFAOYSA-N
MW458.39 g/mol
LogP5.48
Rot. Bonds7

About 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151267971) has the molecular formula C18H24FIN2OSi and a molecular weight of 458.39 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID151267971
Molecular FormulaC18H24FIN2OSi
Molecular Weight458.39 g/mol
Exact Mass458.07
IUPAC Name2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccc(F)cc2)c(I)c1C1CC1
InChIInChI=1S/C18H24FIN2OSi/c1-24(2,3)11-10-23-12-22-18(14-4-5-14)16(20)17(21-22)13-6-8-15(19)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyNVTAGXZUBOWKHR-UHFFFAOYSA-N
XLogP5.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 151267971) is 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccc(F)cc2)c(I)c1C1CC1.
What is the InChIKey of 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NVTAGXZUBOWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FIN2OSi/c1-24(2,3)11-10-23-12-22-18(14-4-5-14)16(20)17(21-22)13-6-8-15(19)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 458.39 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151267971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).