2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane

C14H25BrN2OSi2 — CID 171795624

IUPAC2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(Br)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C14H25BrN2OSi2/c1-19(2,3)9-7-13-11-14(15)17(16-13)12-18-8-10-20(4,5)6/h11H,8,10,12H2,1-6H3
InChIKeyHNVQBGTYXJLYGD-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.19
Rot. Bonds5

About 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane

2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane (PubChem CID 171795624) has the molecular formula C14H25BrN2OSi2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane
PubChem CID171795624
Molecular FormulaC14H25BrN2OSi2
Molecular Weight373.44 g/mol
Exact Mass372.07
IUPAC Name2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(Br)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C14H25BrN2OSi2/c1-19(2,3)9-7-13-11-14(15)17(16-13)12-18-8-10-20(4,5)6/h11H,8,10,12H2,1-6H3
InChIKeyHNVQBGTYXJLYGD-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.19
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 135086472
5-Bromo-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonitrile
CID 135086401
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151156877
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
CID 163671660
2-[[5-Bromo-3-(3,3,3-trifluoroprop-1-ynyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171795538
2-[[3-Bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911691
2-[[3-Bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
3-Bromo-5-methyl-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
CID 86717531
Trimethyl-[2-[(3-methyl-5-trimethylstannylpyrazol-1-yl)methoxy]ethyl]silane
CID 89588831
5-Bromo-4-iodo-3-methyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazole
CID 152417406
5-Bromo-3-methyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazole
CID 156779335
2-[(5-Bromo-4-iodo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 164965096

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane (CID 171795624) is 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc(Br)n(COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane?
The InChIKey is HNVQBGTYXJLYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2OSi2/c1-19(2,3)9-7-13-11-14(15)17(16-13)12-18-8-10-20(4,5)6/h11H,8,10,12H2,1-6H3.
What are the key properties of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane?
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane has a molecular weight of 373.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 171795624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).