1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol

C9H18N2O2Si — CID 90030095

IUPAC1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
SMILESC[Si](C)(C)CCOCn1cc(O)cn1
InChIInChI=1S/C9H18N2O2Si/c1-14(2,3)5-4-13-8-11-7-9(12)6-10-11/h6-7,12H,4-5,8H2,1-3H3
InChIKeyCJBBMOOSORHAGU-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol

1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol (PubChem CID 90030095) has the molecular formula C9H18N2O2Si and a molecular weight of 214.34 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
PubChem CID90030095
Molecular FormulaC9H18N2O2Si
Molecular Weight214.34 g/mol
Exact Mass214.11
IUPAC Name1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
SMILESC[Si](C)(C)CCOCn1cc(O)cn1
InChIInChI=1S/C9H18N2O2Si/c1-14(2,3)5-4-13-8-11-7-9(12)6-10-11/h6-7,12H,4-5,8H2,1-3H3
InChIKeyCJBBMOOSORHAGU-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
trans-(1R,2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]amino]cyclopentan-1-ol
CID 175146402
1-(3-bromophenyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethane-1,2-dione
CID 59772725
[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 171404429
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
3-bromo-4-methyl-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]thiophene-2-carboxylic acid
CID 170650358
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174064420
2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810687

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol (CID 90030095) is 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol is C[Si](C)(C)CCOCn1cc(O)cn1.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol?
The InChIKey is CJBBMOOSORHAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2Si/c1-14(2,3)5-4-13-8-11-7-9(12)6-10-11/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol?
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol has a molecular weight of 214.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol is sourced from PubChem (CID 90030095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).