3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid

C14H26N2O4Si — CID 140816137

IUPAC3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
SMILESCOCC(C)c1cc(C(=O)O)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C14H26N2O4Si/c1-11(9-19-2)12-8-13(14(17)18)16(15-12)10-20-6-7-21(3,4)5/h8,11H,6-7,9-10H2,1-5H3,(H,17,18)
InChIKeyWOSHRMHFZCAVIJ-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.64
Rot. Bonds9

About 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid

3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid (PubChem CID 140816137) has the molecular formula C14H26N2O4Si and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
PubChem CID140816137
Molecular FormulaC14H26N2O4Si
Molecular Weight314.46 g/mol
Exact Mass314.17
IUPAC Name3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
SMILESCOCC(C)c1cc(C(=O)O)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C14H26N2O4Si/c1-11(9-19-2)12-8-13(14(17)18)16(15-12)10-20-6-7-21(3,4)5/h8,11H,6-7,9-10H2,1-5H3,(H,17,18)
InChIKeyWOSHRMHFZCAVIJ-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.64
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'}

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Related Compounds

methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82284276
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
CID 59648587
[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-phenylmethanone
CID 157048343
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027
ethyl 3-[1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylate
CID 155679523
5-bromo-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylic acid
CID 175958107
3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
CID 169054050
5-bromo-4-methoxy-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 90181086
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid (CID 140816137) is 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid is COCC(C)c1cc(C(=O)O)n(COCC[Si](C)(C)C)n1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid?
The InChIKey is WOSHRMHFZCAVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4Si/c1-11(9-19-2)12-8-13(14(17)18)16(15-12)10-20-6-7-21(3,4)5/h8,11H,6-7,9-10H2,1-5H3,(H,17,18).
What are the key properties of 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid?
3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid has a molecular weight of 314.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 140816137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).