4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid

C11H20N2O4Si — CID 90029760

IUPAC4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid
SMILESCOc1cn(COCC[Si](C)(C)C)nc1C(=O)O
InChIInChI=1S/C11H20N2O4Si/c1-16-9-7-13(12-10(9)11(14)15)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyBBHJTEXVVOBZCO-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.90
Rot. Bonds7

About 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid

4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid (PubChem CID 90029760) has the molecular formula C11H20N2O4Si and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid
PubChem CID90029760
Molecular FormulaC11H20N2O4Si
Molecular Weight272.38 g/mol
Exact Mass272.12
IUPAC Name4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid
SMILESCOc1cn(COCC[Si](C)(C)C)nc1C(=O)O
InChIInChI=1S/C11H20N2O4Si/c1-16-9-7-13(12-10(9)11(14)15)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyBBHJTEXVVOBZCO-UHFFFAOYSA-N
XLogP1.90
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid (CID 90029760) is 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid is COc1cn(COCC[Si](C)(C)C)nc1C(=O)O.
What is the InChIKey of 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is BBHJTEXVVOBZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4Si/c1-16-9-7-13(12-10(9)11(14)15)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 272.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 90029760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).