2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C14H23BrN4OSi — CID 175308979

IUPAC2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cc(Br)n(COCC[Si](C)(C)C)n2)cn1
InChIInChI=1S/C14H23BrN4OSi/c1-5-18-10-12(9-16-18)13-8-14(15)19(17-13)11-20-6-7-21(2,3)4/h8-10H,5-7,11H2,1-4H3
InChIKeyDAPFZDXZYYTCQE-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.84
Rot. Bonds7

About 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175308979) has the molecular formula C14H23BrN4OSi and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID175308979
Molecular FormulaC14H23BrN4OSi
Molecular Weight371.36 g/mol
Exact Mass370.08
IUPAC Name2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cc(Br)n(COCC[Si](C)(C)C)n2)cn1
InChIInChI=1S/C14H23BrN4OSi/c1-5-18-10-12(9-16-18)13-8-14(15)19(17-13)11-20-6-7-21(2,3)4/h8-10H,5-7,11H2,1-4H3
InChIKeyDAPFZDXZYYTCQE-UHFFFAOYSA-N
XLogP3.84
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
3-bromo-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172990853
2-[[4-(5-bromo-1-pentan-3-ylpyrrolo[2,3-c]pyridin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123479239
[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone
CID 175726978
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 145066845
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
CID 171465871
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
CID 79832283
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 175308979) is 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCn1cc(-c2cc(Br)n(COCC[Si](C)(C)C)n2)cn1.
What is the InChIKey of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DAPFZDXZYYTCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4OSi/c1-5-18-10-12(9-16-18)13-8-14(15)19(17-13)11-20-6-7-21(2,3)4/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 371.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175308979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).