2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane

C15H22BrF3N2OSi — CID 171769788

IUPAC2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc2c(c(Br)c1C(F)(F)F)N(COCC[Si](C)(C)C)NC2
InChIInChI=1S/C15H22BrF3N2OSi/c1-10-7-11-8-20-21(9-22-5-6-23(2,3)4)14(11)13(16)12(10)15(17,18)19/h7,20H,5-6,8-9H2,1-4H3
InChIKeyPJNYAYAFRXZXEU-UHFFFAOYSA-N
MW411.34 g/mol
LogP4.91
Rot. Bonds5

About 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171769788) has the molecular formula C15H22BrF3N2OSi and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171769788
Molecular FormulaC15H22BrF3N2OSi
Molecular Weight411.34 g/mol
Exact Mass410.06
IUPAC Name2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc2c(c(Br)c1C(F)(F)F)N(COCC[Si](C)(C)C)NC2
InChIInChI=1S/C15H22BrF3N2OSi/c1-10-7-11-8-20-21(9-22-5-6-23(2,3)4)14(11)13(16)12(10)15(17,18)19/h7,20H,5-6,8-9H2,1-4H3
InChIKeyPJNYAYAFRXZXEU-UHFFFAOYSA-N
XLogP4.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 54.91
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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Related Compounds

2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
ethyl 3-cyclopropyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate
CID 167334496
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 68842797
2-methyl-4-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine;trimethyl-[2-[[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl]silane
CID 161210999
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974

Frequently Asked Questions

What is the IUPAC name of 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 171769788) is 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc2c(c(Br)c1C(F)(F)F)N(COCC[Si](C)(C)C)NC2.
What is the InChIKey of 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PJNYAYAFRXZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF3N2OSi/c1-10-7-11-8-20-21(9-22-5-6-23(2,3)4)14(11)13(16)12(10)15(17,18)19/h7,20H,5-6,8-9H2,1-4H3.
What are the key properties of 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 411.34 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171769788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).