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

C12H21F3N2O2Si — CID 68630194

IUPAC[5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
SMILESCc1c(CO)c(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H21F3N2O2Si/c1-9-10(7-18)11(12(13,14)15)16-17(9)8-19-5-6-20(2,3)4/h18H,5-8H2,1-4H3
InChIKeyZYQXFKBQMKHQSQ-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.01
Rot. Bonds6

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

[5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (PubChem CID 68630194) has the molecular formula C12H21F3N2O2Si and a molecular weight of 310.39 g/mol. Its IUPAC name is [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
PubChem CID68630194
Molecular FormulaC12H21F3N2O2Si
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name[5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
SMILESCc1c(CO)c(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H21F3N2O2Si/c1-9-10(7-18)11(12(13,14)15)16-17(9)8-19-5-6-20(2,3)4/h18H,5-8H2,1-4H3
InChIKeyZYQXFKBQMKHQSQ-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.01
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-1H-pyrazol-4-yl)methanol
CID 7172184
1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005932
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
CID 7172183
1H-Pyrazole-4-methanol, 1,5-dimethyl-3-(trifluoromethyl)-
CID 59196731
2-[3-Methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]acetonitrile
CID 68629335
[3-Methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 68630013
2-[5-Methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]acetonitrile
CID 68630704
[3-(1,1-Difluoroethyl)-1,5-dimethylpyrazol-4-yl]methanol;ethane
CID 145222067
4-(Methoxymethyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 155587207
[3-Ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 172593180
6-Chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol
CID 174101463
[3,5-Dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
CID 54961652

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (CID 68630194) is [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is Cc1c(CO)c(C(F)(F)F)nn1COCC[Si](C)(C)C.
What is the InChIKey of [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The InChIKey is ZYQXFKBQMKHQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2Si/c1-9-10(7-18)11(12(13,14)15)16-17(9)8-19-5-6-20(2,3)4/h18H,5-8H2,1-4H3.
What are the key properties of [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
[5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol has a molecular weight of 310.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 68630194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).