4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine

C11H19N3O2S — CID 73439281

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine
SMILESCc1cc(C)n(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H19N3O2S/c1-9-8-10(2)14(12-9)11-4-6-13(7-5-11)17(3,15)16/h8,11H,4-7H2,1-3H3
InChIKeyRPKVTLZCUZGBOI-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.10
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine

4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine (PubChem CID 73439281) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine
PubChem CID73439281
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine
SMILESCc1cc(C)n(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H19N3O2S/c1-9-8-10(2)14(12-9)11-4-6-13(7-5-11)17(3,15)16/h8,11H,4-7H2,1-3H3
InChIKeyRPKVTLZCUZGBOI-UHFFFAOYSA-N
XLogP1.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
4-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 23014320
N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]methanesulfonamide
CID 45804050
4-(3,5-Dimethylpyrazol-1-YL)-1-(4-methylpiperidin-1-ylsulfonyl)piperidine
CID 46981278
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53616461
3-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 53619054
3,5-Dimethyl-1-[[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 53623307
N-[3-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53625103
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56780575
3,5-Dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 56780577
3-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141886
4-[4-(3,5-Dimethylpyrazol-1-YL)piperidin-1-ylsulfonyl]morpholine
CID 95806208

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine (CID 73439281) is 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine is Cc1cc(C)n(C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine?
The InChIKey is RPKVTLZCUZGBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-8-10(2)14(12-9)11-4-6-13(7-5-11)17(3,15)16/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine?
4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 73439281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).