2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile

C11H18ClN3OSi — CID 171832869

IUPAC2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
SMILESC[Si](C)(C)CCOCn1ncc(Cl)c1CC#N
InChIInChI=1S/C11H18ClN3OSi/c1-17(2,3)7-6-16-9-15-11(4-5-13)10(12)8-14-15/h8H,4,6-7,9H2,1-3H3
InChIKeyQDUIEWGRXSGVAG-UHFFFAOYSA-N
MW271.82 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile

2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile (PubChem CID 171832869) has the molecular formula C11H18ClN3OSi and a molecular weight of 271.82 g/mol. Its IUPAC name is 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
PubChem CID171832869
Molecular FormulaC11H18ClN3OSi
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
SMILESC[Si](C)(C)CCOCn1ncc(Cl)c1CC#N
InChIInChI=1S/C11H18ClN3OSi/c1-17(2,3)7-6-16-9-15-11(4-5-13)10(12)8-14-15/h8H,4,6-7,9H2,1-3H3
InChIKeyQDUIEWGRXSGVAG-UHFFFAOYSA-N
XLogP2.91
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 52.91
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-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
CID 163209326
2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile
CID 71001888
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile (CID 171832869) is 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile is C[Si](C)(C)CCOCn1ncc(Cl)c1CC#N.
What is the InChIKey of 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile?
The InChIKey is QDUIEWGRXSGVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OSi/c1-17(2,3)7-6-16-9-15-11(4-5-13)10(12)8-14-15/h8H,4,6-7,9H2,1-3H3.
What are the key properties of 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile?
2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile has a molecular weight of 271.82 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile is sourced from PubChem (CID 171832869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).