5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C11H19N3O2S2 — CID 134224741

IUPAC5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCSc1n[nH]c2c1CN(S(=O)(=O)CC(C)C)CC2
InChIInChI=1S/C11H19N3O2S2/c1-8(2)7-18(15,16)14-5-4-10-9(6-14)11(17-3)13-12-10/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyXFXYKLFWLYFIMK-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.48
Rot. Bonds4

About 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 134224741) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID134224741
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCSc1n[nH]c2c1CN(S(=O)(=O)CC(C)C)CC2
InChIInChI=1S/C11H19N3O2S2/c1-8(2)7-18(15,16)14-5-4-10-9(6-14)11(17-3)13-12-10/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyXFXYKLFWLYFIMK-UHFFFAOYSA-N
XLogP1.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(2-methylpropylsulfonyl)-4,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine
CID 118491650
3-ethyl-5-propan-2-ylsulfonyl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
CID 155148604
5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31016710
5-(chloromethylsulfonyl)-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118491777
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780213
5-[[(3S)-oxolan-3-yl]methylsulfonyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 95347931
5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 53185500
N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
CID 30852918
3-ethyl-5-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493373
[2-chloro-5-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]methanamine
CID 68909457
3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
CID 144718796
(4aR,8aR)-3-methylsulfanyl-6-propyl-1,4,4a,5,7,8,8a,9-octahydropyrazolo[5,4-g]isoquinoline
CID 67795868

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 134224741) is 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CSc1n[nH]c2c1CN(S(=O)(=O)CC(C)C)CC2.
What is the InChIKey of 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XFXYKLFWLYFIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-8(2)7-18(15,16)14-5-4-10-9(6-14)11(17-3)13-12-10/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 289.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfonyl)-3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 134224741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).