methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate

C11H19N3O4Si — CID 175614777

IUPACmethyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)cc1N=O
InChIInChI=1S/C11H19N3O4Si/c1-17-11(15)10-9(13-16)7-14(12-10)8-18-5-6-19(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyCSXMPYCHCRRNMS-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.38
Rot. Bonds7

About methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate

methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate (PubChem CID 175614777) has the molecular formula C11H19N3O4Si and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
PubChem CID175614777
Molecular FormulaC11H19N3O4Si
Molecular Weight285.38 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)cc1N=O
InChIInChI=1S/C11H19N3O4Si/c1-17-11(15)10-9(13-16)7-14(12-10)8-18-5-6-19(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyCSXMPYCHCRRNMS-UHFFFAOYSA-N
XLogP2.38
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145
methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 166173802
ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
CID 140713204
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
methyl 3-amino-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 142755280
methyl 5-(4-bromophenoxy)-1-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156635103
ethyl 3-prop-1-ynyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 163216453
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 171404429

Frequently Asked Questions

What is the IUPAC name of methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate (CID 175614777) is methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate is COC(=O)c1nn(COCC[Si](C)(C)C)cc1N=O.
What is the InChIKey of methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
The InChIKey is CSXMPYCHCRRNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4Si/c1-17-11(15)10-9(13-16)7-14(12-10)8-18-5-6-19(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate?
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 175614777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).