2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C10H17BrF2N2OSi — CID 151156877

IUPAC2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)F)cc1Br
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-9(11)6-8(14-15)10(12)13/h6,10H,4-5,7H2,1-3H3
InChIKeyMZKRFVIVZBYDPK-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.90
Rot. Bonds6

About 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151156877) has the molecular formula C10H17BrF2N2OSi and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID151156877
Molecular FormulaC10H17BrF2N2OSi
Molecular Weight327.25 g/mol
Exact Mass326.03
IUPAC Name2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)F)cc1Br
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-9(11)6-8(14-15)10(12)13/h6,10H,4-5,7H2,1-3H3
InChIKeyMZKRFVIVZBYDPK-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.90
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'}

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Related Compounds

5-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole
CID 118270534
3-Bromo-5-(difluoromethyl)-1-methyl-1H-pyrazole
CID 164886200
5-Bromo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 135086472
5-Bromo-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonitrile
CID 135086401
2-[[4-Bromo-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68627957
2-[[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68631138
2-[[4-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140721390
5-Bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 142746832
Bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane
CID 156784529
CID 158558373
CID 158558373
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
CID 163671660
5-Bromo-3-(difluoromethyl)-1-(2-methylsulfanylethoxymethyl)pyrazole
CID 166765708

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 151156877) is 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(C(F)F)cc1Br.
What is the InChIKey of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MZKRFVIVZBYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-9(11)6-8(14-15)10(12)13/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 327.25 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151156877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).