5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde

C15H22N2O2Si — CID 164900212

IUPAC5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
SMILESCc1ccc2c(cnn2COCC[Si](C)(C)C)c1C=O
InChIInChI=1S/C15H22N2O2Si/c1-12-5-6-15-13(14(12)10-18)9-16-17(15)11-19-7-8-20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyGFFZYPZALAFZDA-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.47
Rot. Bonds6

About 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde

5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde (PubChem CID 164900212) has the molecular formula C15H22N2O2Si and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
PubChem CID164900212
Molecular FormulaC15H22N2O2Si
Molecular Weight290.44 g/mol
Exact Mass290.15
IUPAC Name5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
SMILESCc1ccc2c(cnn2COCC[Si](C)(C)C)c1C=O
InChIInChI=1S/C15H22N2O2Si/c1-12-5-6-15-13(14(12)10-18)9-16-17(15)11-19-7-8-20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyGFFZYPZALAFZDA-UHFFFAOYSA-N
XLogP3.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 86651955
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163251863
trimethyl-[2-(thieno[2,3-d]pyrazol-1-ylmethoxy)ethyl]silane
CID 141109595
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 169159905
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde?
The IUPAC name of 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde (CID 164900212) is 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde.
What is the SMILES notation for 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde?
The canonical SMILES for 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde is Cc1ccc2c(cnn2COCC[Si](C)(C)C)c1C=O.
What is the InChIKey of 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde?
The InChIKey is GFFZYPZALAFZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2Si/c1-12-5-6-15-13(14(12)10-18)9-16-17(15)11-19-7-8-20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde?
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde has a molecular weight of 290.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde is sourced from PubChem (CID 164900212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).