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

C13H19F3N4O2S — CID 154799793

IUPAC5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCC(CN2CCc3[nH]nc(C(F)(F)F)c3C2)C1
InChIInChI=1S/C13H19F3N4O2S/c1-23(21,22)20-5-2-9(7-20)6-19-4-3-11-10(8-19)12(18-17-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyKKANNURYDQFSJC-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.07
Rot. Bonds3

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

5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 154799793) has the molecular formula C13H19F3N4O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID154799793
Molecular FormulaC13H19F3N4O2S
Molecular Weight352.38 g/mol
Exact Mass352.12
IUPAC Name5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCC(CN2CCc3[nH]nc(C(F)(F)F)c3C2)C1
InChIInChI=1S/C13H19F3N4O2S/c1-23(21,22)20-5-2-9(7-20)6-19-4-3-11-10(8-19)12(18-17-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyKKANNURYDQFSJC-UHFFFAOYSA-N
XLogP1.07
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N,N-dimethylpropane-1-sulfonamide
CID 91834354
5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57362245
5-Ethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 68029788
5-Methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 69372052
5-Propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 90162224
3-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489263
3-Propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118489305
3-Propan-2-yl-6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118489366
3-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489371
3-Methyl-5-(3,3,3-trifluoropropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118491709
3-Methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118491787
3-Ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118493379

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 154799793) is 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CS(=O)(=O)N1CCC(CN2CCc3[nH]nc(C(F)(F)F)c3C2)C1.
What is the InChIKey of 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is KKANNURYDQFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2S/c1-23(21,22)20-5-2-9(7-20)6-19-4-3-11-10(8-19)12(18-17-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 352.38 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 154799793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).