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

C10H18BrF2N2OSi- — CID 163671660

IUPAC2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
SMILESC[SiH-](C)(C)CCOCn1nc(C(F)F)cc1Br
InChIInChI=1S/C10H18BrF2N2OSi/c1-17(2,3)5-4-16-7-15-9(11)6-8(14-15)10(12)13/h6,10,17H,4-5,7H2,1-3H3/q-1
InChIKeyJDBXIRSUBJAPER-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.63
Rot. Bonds6

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

2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide (PubChem CID 163671660) has the molecular formula C10H18BrF2N2OSi- and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide.

Molecular Properties

Compound Name2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
PubChem CID163671660
Molecular FormulaC10H18BrF2N2OSi-
Molecular Weight328.25 g/mol
Exact Mass327.03
IUPAC Name2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
SMILESC[SiH-](C)(C)CCOCn1nc(C(F)F)cc1Br
InChIInChI=1S/C10H18BrF2N2OSi/c1-17(2,3)5-4-16-7-15-9(11)6-8(14-15)10(12)13/h6,10,17H,4-5,7H2,1-3H3/q-1
InChIKeyJDBXIRSUBJAPER-UHFFFAOYSA-N
XLogP3.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.63
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-(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
Bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane
CID 156784529
CID 158558373
CID 158558373
5-Bromo-3-(difluoromethyl)-1-(2-methylsulfanylethoxymethyl)pyrazole
CID 166765708
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethyl-lambda4-sulfane
CID 166765736
2-[[5-Bromo-3-(3,3,3-trifluoroprop-1-ynyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171795538
Trimethyl-[2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 175735739
2-[[4-Bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176407595
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide?
The IUPAC name of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide (CID 163671660) is 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide.
What is the SMILES notation for 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide?
The canonical SMILES for 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide is C[SiH-](C)(C)CCOCn1nc(C(F)F)cc1Br.
What is the InChIKey of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide?
The InChIKey is JDBXIRSUBJAPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF2N2OSi/c1-17(2,3)5-4-16-7-15-9(11)6-8(14-15)10(12)13/h6,10,17H,4-5,7H2,1-3H3/q-1.
What are the key properties of 2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide?
2-[[5-bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide has a molecular weight of 328.25 g/mol, XLogP of 3.63, 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-trimethylsilanuide is sourced from PubChem (CID 163671660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).