[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol

C10H19ClN2O2Si — CID 171404429

IUPAC[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1cc(CO)c(Cl)n1
InChIInChI=1S/C10H19ClN2O2Si/c1-16(2,3)5-4-15-8-13-6-9(7-14)10(11)12-13/h6,14H,4-5,7-8H2,1-3H3
InChIKeyNHZSONGHWWOITH-UHFFFAOYSA-N
MW262.81 g/mol
LogP2.34
Rot. Bonds6

About [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol

[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (PubChem CID 171404429) has the molecular formula C10H19ClN2O2Si and a molecular weight of 262.81 g/mol. Its IUPAC name is [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
PubChem CID171404429
Molecular FormulaC10H19ClN2O2Si
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC Name[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1cc(CO)c(Cl)n1
InChIInChI=1S/C10H19ClN2O2Si/c1-16(2,3)5-4-15-8-13-6-9(7-14)10(11)12-13/h6,14H,4-5,7-8H2,1-3H3
InChIKeyNHZSONGHWWOITH-UHFFFAOYSA-N
XLogP2.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 52.34
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

2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid
CID 175420636
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
CID 163209326
2-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162040154
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123539865
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (CID 171404429) is [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is C[Si](C)(C)CCOCn1cc(CO)c(Cl)n1.
What is the InChIKey of [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The InChIKey is NHZSONGHWWOITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2Si/c1-16(2,3)5-4-15-8-13-6-9(7-14)10(11)12-13/h6,14H,4-5,7-8H2,1-3H3.
What are the key properties of [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol has a molecular weight of 262.81 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 171404429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).