3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one

C13H18F3N3O2Si — CID 177301450

IUPAC3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c(=O)[nH]ccc21
InChIInChI=1S/C13H18F3N3O2Si/c1-22(2,3)7-6-21-8-19-9-4-5-17-12(20)10(9)11(18-19)13(14,15)16/h4-5H,6-8H2,1-3H3,(H,17,20)
InChIKeyDKLGTZVJCRQSGW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.06
Rot. Bonds5

About 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one

3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 177301450) has the molecular formula C13H18F3N3O2Si and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID177301450
Molecular FormulaC13H18F3N3O2Si
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c(=O)[nH]ccc21
InChIInChI=1S/C13H18F3N3O2Si/c1-22(2,3)7-6-21-8-19-9-4-5-17-12(20)10(9)11(18-19)13(14,15)16/h4-5H,6-8H2,1-3H3,(H,17,20)
InChIKeyDKLGTZVJCRQSGW-UHFFFAOYSA-N
XLogP3.06
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.06
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-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68629497
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
5-deuterio-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 175932254
2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 167528226
6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one
CID 59812975
5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione
CID 67594826
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one (CID 177301450) is 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one is C[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c(=O)[nH]ccc21.
What is the InChIKey of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is DKLGTZVJCRQSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2Si/c1-22(2,3)7-6-21-8-19-9-4-5-17-12(20)10(9)11(18-19)13(14,15)16/h4-5H,6-8H2,1-3H3,(H,17,20).
What are the key properties of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 177301450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).