methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate

C12H22N2O3Si — CID 171830742

IUPACmethyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H22N2O3Si/c1-10-8-11(12(15)16-2)14(13-10)9-17-6-7-18(3,4)5/h8H,6-7,9H2,1-5H3
InChIKeyTZOAIKGTIKXUHC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.29
Rot. Bonds6

About methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate

methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate (PubChem CID 171830742) has the molecular formula C12H22N2O3Si and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
PubChem CID171830742
Molecular FormulaC12H22N2O3Si
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H22N2O3Si/c1-10-8-11(12(15)16-2)14(13-10)9-17-6-7-18(3,4)5/h8H,6-7,9H2,1-5H3
InChIKeyTZOAIKGTIKXUHC-UHFFFAOYSA-N
XLogP2.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
methyl 3-(4-bromophenyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 71267034
methyl 4-amino-3-[4-amino-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]benzoate
CID 171630161
3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
CID 140816137
methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate
CID 172572921
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
methyl 5-[[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 111279141
[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-phenylmethanone
CID 157048343
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 166058271
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
methyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 140878903
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate (CID 171830742) is methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate is COC(=O)c1cc(C)nn1COCC[Si](C)(C)C.
What is the InChIKey of methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
The InChIKey is TZOAIKGTIKXUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3Si/c1-10-8-11(12(15)16-2)14(13-10)9-17-6-7-18(3,4)5/h8H,6-7,9H2,1-5H3.
What are the key properties of methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 171830742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).