2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C10H14F3N3O2S — CID 90452351

IUPAC2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCN1CCc2c(nn(C)c2CS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C10H14F3N3O2S/c1-15-4-3-7-8(5-15)14-16(2)9(7)6-19(17,18)10(11,12)13/h3-6H2,1-2H3
InChIKeyROYGXDFMKXRMQJ-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.84
Rot. Bonds2

About 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 90452351) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID90452351
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCN1CCc2c(nn(C)c2CS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C10H14F3N3O2S/c1-15-4-3-7-8(5-15)14-16(2)9(7)6-19(17,18)10(11,12)13/h3-6H2,1-2H3
InChIKeyROYGXDFMKXRMQJ-UHFFFAOYSA-N
XLogP0.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-(3,3,3-Trifluoropropanesulfonyl)-7,8,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1,6-diene
CID 119102663
6-ethyl-1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 58157179
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 90162133
6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 90162189
1-Propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
CID 90162772
1,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 90167631
1-Methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 90167801
1-Ethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
CID 121214688
4-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
CID 122633449
1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 129129637
1-Ethyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
CID 129129704
4-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine;ethane
CID 144862614

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 90452351) is 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CN1CCc2c(nn(C)c2CS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is ROYGXDFMKXRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-15-4-3-7-8(5-15)14-16(2)9(7)6-19(17,18)10(11,12)13/h3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 297.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(trifluoromethylsulfonylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 90452351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).