2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

C20H37Br2IN4O2Si2 — CID 164965096

IUPAC2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1cc(Br)n(COCC[Si](C)(C)C)n1.Cc1nn(COCC[Si](C)(C)C)c(Br)c1I
InChIInChI=1S/C10H18BrIN2OSi.C10H19BrN2OSi/c1-8-9(12)10(11)14(13-8)7-15-5-6-16(2,3)4;1-9-7-10(11)13(12-9)8-14-5-6-15(2,3)4/h5-7H2,1-4H3;7H,5-6,8H2,1-4H3
InChIKeyCJMDVDSYQLYFQN-UHFFFAOYSA-N
MW708.43 g/mol
LogP7.14
Rot. Bonds10

About 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 164965096) has the molecular formula C20H37Br2IN4O2Si2 and a molecular weight of 708.43 g/mol. Its IUPAC name is 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID164965096
Molecular FormulaC20H37Br2IN4O2Si2
Molecular Weight708.43 g/mol
Exact Mass705.99
IUPAC Name2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1cc(Br)n(COCC[Si](C)(C)C)n1.Cc1nn(COCC[Si](C)(C)C)c(Br)c1I
InChIInChI=1S/C10H18BrIN2OSi.C10H19BrN2OSi/c1-8-9(12)10(11)14(13-8)7-15-5-6-16(2,3)4;1-9-7-10(11)13(12-9)8-14-5-6-15(2,3)4/h5-7H2,1-4H3;7H,5-6,8H2,1-4H3
InChIKeyCJMDVDSYQLYFQN-UHFFFAOYSA-N
XLogP7.14
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.43
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 164965096) is 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is Cc1cc(Br)n(COCC[Si](C)(C)C)n1.Cc1nn(COCC[Si](C)(C)C)c(Br)c1I.
What is the InChIKey of 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is CJMDVDSYQLYFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrIN2OSi.C10H19BrN2OSi/c1-8-9(12)10(11)14(13-8)7-15-5-6-16(2,3)4;1-9-7-10(11)13(12-9)8-14-5-6-15(2,3)4/h5-7H2,1-4H3;7H,5-6,8H2,1-4H3.
What are the key properties of 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 708.43 g/mol, XLogP of 7.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164965096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).