3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile

C10H17N3OSi — CID 67333845

IUPAC3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile
SMILESCCOc1nn(C)c([Si](C)(C)C)c1C#N
InChIInChI=1S/C10H17N3OSi/c1-6-14-9-8(7-11)10(13(2)12-9)15(3,4)5/h6H2,1-5H3
InChIKeyWQZOBUGNADNYAT-UHFFFAOYSA-N
MW223.35 g/mol
LogP1.24
Rot. Bonds3

About 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile

3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile (PubChem CID 67333845) has the molecular formula C10H17N3OSi and a molecular weight of 223.35 g/mol. Its IUPAC name is 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile
PubChem CID67333845
Molecular FormulaC10H17N3OSi
Molecular Weight223.35 g/mol
Exact Mass223.11
IUPAC Name3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile
SMILESCCOc1nn(C)c([Si](C)(C)C)c1C#N
InChIInChI=1S/C10H17N3OSi/c1-6-14-9-8(7-11)10(13(2)12-9)15(3,4)5/h6H2,1-5H3
InChIKeyWQZOBUGNADNYAT-UHFFFAOYSA-N
XLogP1.24
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile?
The IUPAC name of 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile (CID 67333845) is 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile?
The canonical SMILES for 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile is CCOc1nn(C)c([Si](C)(C)C)c1C#N.
What is the InChIKey of 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile?
The InChIKey is WQZOBUGNADNYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OSi/c1-6-14-9-8(7-11)10(13(2)12-9)15(3,4)5/h6H2,1-5H3.
What are the key properties of 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile?
3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile has a molecular weight of 223.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methyl-5-trimethylsilylpyrazole-4-carbonitrile is sourced from PubChem (CID 67333845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).