[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol

C11H21IN2O2Si — CID 170617766

IUPAC[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
SMILESCc1nn(COCC[Si](C)(C)C)c(CO)c1I
InChIInChI=1S/C11H21IN2O2Si/c1-9-11(12)10(7-15)14(13-9)8-16-5-6-17(2,3)4/h15H,5-8H2,1-4H3
InChIKeyXDQXSTGSDUTPKT-UHFFFAOYSA-N
MW368.29 g/mol
LogP2.60
Rot. Bonds6

About [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol

[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol (PubChem CID 170617766) has the molecular formula C11H21IN2O2Si and a molecular weight of 368.29 g/mol. Its IUPAC name is [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
PubChem CID170617766
Molecular FormulaC11H21IN2O2Si
Molecular Weight368.29 g/mol
Exact Mass368.04
IUPAC Name[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
SMILESCc1nn(COCC[Si](C)(C)C)c(CO)c1I
InChIInChI=1S/C11H21IN2O2Si/c1-9-11(12)10(7-15)14(13-9)8-16-5-6-17(2,3)4/h15H,5-8H2,1-4H3
InChIKeyXDQXSTGSDUTPKT-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 52.60
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
5-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridin-2-amine
CID 167527527
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156733839
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol
CID 174096302
2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68629497
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
CID 163209326
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027

Frequently Asked Questions

What is the IUPAC name of [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol?
The IUPAC name of [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol (CID 170617766) is [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol?
The canonical SMILES for [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol is Cc1nn(COCC[Si](C)(C)C)c(CO)c1I.
What is the InChIKey of [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol?
The InChIKey is XDQXSTGSDUTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2O2Si/c1-9-11(12)10(7-15)14(13-9)8-16-5-6-17(2,3)4/h15H,5-8H2,1-4H3.
What are the key properties of [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol?
[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol has a molecular weight of 368.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 170617766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).