4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol

C13H26N2O2Si — CID 140760738

IUPAC4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol
SMILESC[Si](C)(C)CCOCn1nccc1CCCCO
InChIInChI=1S/C13H26N2O2Si/c1-18(2,3)11-10-17-12-15-13(7-8-14-15)6-4-5-9-16/h7-8,16H,4-6,9-12H2,1-3H3
InChIKeyBAZPVASSQXABTO-UHFFFAOYSA-N
MW270.45 g/mol
LogP2.51
Rot. Bonds9

About 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol

4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol (PubChem CID 140760738) has the molecular formula C13H26N2O2Si and a molecular weight of 270.45 g/mol. Its IUPAC name is 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol
PubChem CID140760738
Molecular FormulaC13H26N2O2Si
Molecular Weight270.45 g/mol
Exact Mass270.18
IUPAC Name4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol
SMILESC[Si](C)(C)CCOCn1nccc1CCCCO
InChIInChI=1S/C13H26N2O2Si/c1-18(2,3)11-10-17-12-15-13(7-8-14-15)6-4-5-9-16/h7-8,16H,4-6,9-12H2,1-3H3
InChIKeyBAZPVASSQXABTO-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 52.51
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

3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol
CID 64515300
1-(1-Butan-2-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147415
1-(1-Pentan-3-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147435
1-(1-Propan-2-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147524
1-(1-Butan-2-ylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol
CID 103147693
4-(2,2-Difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 103147713
4-(2,2-Difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol
CID 103147772
4-(2,2-Difluoroethoxy)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 103147827
4-(2-Methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103217211
4-(2-Methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol
CID 103474088
1-(1-Methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 113780793
1-(2-Methylpyrazol-3-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-ol
CID 113780796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol?
The IUPAC name of 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol (CID 140760738) is 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol.
What is the SMILES notation for 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol?
The canonical SMILES for 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol is C[Si](C)(C)CCOCn1nccc1CCCCO.
What is the InChIKey of 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol?
The InChIKey is BAZPVASSQXABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2Si/c1-18(2,3)11-10-17-12-15-13(7-8-14-15)6-4-5-9-16/h7-8,16H,4-6,9-12H2,1-3H3.
What are the key properties of 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol?
4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol has a molecular weight of 270.45 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-1-ol is sourced from PubChem (CID 140760738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).