3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile

C10H16BrN3OSi — CID 135086401

IUPAC3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1nc(Br)cc1C#N
InChIInChI=1S/C10H16BrN3OSi/c1-16(2,3)5-4-15-8-14-9(7-12)6-10(11)13-14/h6H,4-5,8H2,1-3H3
InChIKeyYTEFTBJVQRKIMM-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.83
Rot. Bonds5

About 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile

3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile (PubChem CID 135086401) has the molecular formula C10H16BrN3OSi and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
PubChem CID135086401
Molecular FormulaC10H16BrN3OSi
Molecular Weight302.25 g/mol
Exact Mass301.02
IUPAC Name3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1nc(Br)cc1C#N
InChIInChI=1S/C10H16BrN3OSi/c1-16(2,3)5-4-15-8-14-9(7-12)6-10(11)13-14/h6H,4-5,8H2,1-3H3
InChIKeyYTEFTBJVQRKIMM-UHFFFAOYSA-N
XLogP2.83
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
3-[hydroxy-(3-iodo-1-methylpyrazol-4-yl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 164718878
[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-phenylmethanone
CID 157048343
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 171465845
5-phenylsulfanyl-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonitrile
CID 135066496
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 123634189
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
CID 19778352

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile?
The IUPAC name of 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile (CID 135086401) is 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile.
What is the SMILES notation for 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile?
The canonical SMILES for 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile is C[Si](C)(C)CCOCn1nc(Br)cc1C#N.
What is the InChIKey of 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile?
The InChIKey is YTEFTBJVQRKIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OSi/c1-16(2,3)5-4-15-8-14-9(7-12)6-10(11)13-14/h6H,4-5,8H2,1-3H3.
What are the key properties of 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile?
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile has a molecular weight of 302.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile is sourced from PubChem (CID 135086401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).