1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde

C11H18N2O3Si — CID 164719027

IUPAC1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)cc1C=O
InChIInChI=1S/C11H18N2O3Si/c1-17(2,3)5-4-16-9-13-11(8-15)6-10(7-14)12-13/h6-8H,4-5,9H2,1-3H3
InChIKeyWFOSOHOUQVBIHZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.82
Rot. Bonds7

About 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde

1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde (PubChem CID 164719027) has the molecular formula C11H18N2O3Si and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
PubChem CID164719027
Molecular FormulaC11H18N2O3Si
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)cc1C=O
InChIInChI=1S/C11H18N2O3Si/c1-17(2,3)5-4-16-9-13-11(8-15)6-10(7-14)12-13/h6-8H,4-5,9H2,1-3H3
InChIKeyWFOSOHOUQVBIHZ-UHFFFAOYSA-N
XLogP1.82
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde
CID 171529389
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
1-(propoxymethyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675358
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
CID 140816137
1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 169159905
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 174175818
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
CID 171465871
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde (CID 164719027) is 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde is C[Si](C)(C)CCOCn1nc(C=O)cc1C=O.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde?
The InChIKey is WFOSOHOUQVBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3Si/c1-17(2,3)5-4-16-9-13-11(8-15)6-10(7-14)12-13/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde?
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde has a molecular weight of 254.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde is sourced from PubChem (CID 164719027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).