5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C8H10F3N3O2S — CID 69372052

IUPAC5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H10F3N3O2S/c1-17(15,16)14-3-2-6-5(4-14)7(13-12-6)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyGKSCDRXVNNZYAI-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.75
Rot. Bonds1

About 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 69372052) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID69372052
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H10F3N3O2S/c1-17(15,16)14-3-2-6-5(4-14)7(13-12-6)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyGKSCDRXVNNZYAI-UHFFFAOYSA-N
XLogP0.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 69372052) is 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CS(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is GKSCDRXVNNZYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-17(15,16)14-3-2-6-5(4-14)7(13-12-6)8(9,10)11/h2-4H2,1H3,(H,12,13).
What are the key properties of 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 269.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 69372052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).