5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C10H17N3O2S — CID 118489235

IUPAC5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1n[nH]c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C10H17N3O2S/c1-7(2)10-8-6-13(16(3,14)15)5-4-9(8)11-12-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyIFTPWSRBRFXMCS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.85
Rot. Bonds2

About 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 118489235) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID118489235
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1n[nH]c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C10H17N3O2S/c1-7(2)10-8-6-13(16(3,14)15)5-4-9(8)11-12-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyIFTPWSRBRFXMCS-UHFFFAOYSA-N
XLogP0.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 71926947
3-Cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893263
3-(3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N,N-dimethylpropane-1-sulfonamide
CID 91834354
5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 99932735
5-Methylsulfonyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 69372052
3-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489263
3-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489371
5-Methylsulfonyl-3-[3-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 123850426
2-iodo-5-methylsulfonyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 163957183
4-Fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 171531547
3-Isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893260
5-(Oxolan-3-ylmethylsulfonyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 53622288

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 118489235) is 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)c1n[nH]c2c1CN(S(C)(=O)=O)CC2.
What is the InChIKey of 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IFTPWSRBRFXMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)10-8-6-13(16(3,14)15)5-4-9(8)11-12-10/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 243.33 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118489235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).