6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol

C13H19ClF3N3O2Si — CID 174101463

IUPAC6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c1C=C(Cl)NC2O
InChIInChI=1S/C13H19ClF3N3O2Si/c1-23(2,3)5-4-22-7-20-8-6-9(14)18-12(21)10(8)11(19-20)13(15,16)17/h6,12,18,21H,4-5,7H2,1-3H3
InChIKeyMIQZYSNNOSQNKW-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.35
Rot. Bonds5

About 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol

6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol (PubChem CID 174101463) has the molecular formula C13H19ClF3N3O2Si and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol
PubChem CID174101463
Molecular FormulaC13H19ClF3N3O2Si
Molecular Weight369.85 g/mol
Exact Mass369.09
IUPAC Name6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c1C=C(Cl)NC2O
InChIInChI=1S/C13H19ClF3N3O2Si/c1-23(2,3)5-4-22-7-20-8-6-9(14)18-12(21)10(8)11(19-20)13(15,16)17/h6,12,18,21H,4-5,7H2,1-3H3
InChIKeyMIQZYSNNOSQNKW-UHFFFAOYSA-N
XLogP3.35
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol (CID 174101463) is 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol is C[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c1C=C(Cl)NC2O.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol?
The InChIKey is MIQZYSNNOSQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3N3O2Si/c1-23(2,3)5-4-22-7-20-8-6-9(14)18-12(21)10(8)11(19-20)13(15,16)17/h6,12,18,21H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol?
6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol has a molecular weight of 369.85 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[4,3-c]pyridin-4-ol is sourced from PubChem (CID 174101463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).