3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine

C13H23N3O2S — CID 71927051

IUPAC3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
SMILESCc1cc(C2CCCN(CCCS(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H23N3O2S/c1-11-9-13(15-14-11)12-5-3-6-16(10-12)7-4-8-19(2,17)18/h9,12H,3-8,10H2,1-2H3,(H,14,15)
InChIKeySMAJBGIXCKUMJC-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.33
Rot. Bonds5

About 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine

3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine (PubChem CID 71927051) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
PubChem CID71927051
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
SMILESCc1cc(C2CCCN(CCCS(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H23N3O2S/c1-11-9-13(15-14-11)12-5-3-6-16(10-12)7-4-8-19(2,17)18/h9,12H,3-8,10H2,1-2H3,(H,14,15)
InChIKeySMAJBGIXCKUMJC-UHFFFAOYSA-N
XLogP1.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 71926947
1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71927020
3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 71927049
1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71927065
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 72121215
1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine
CID 51104640
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70705900
N,N-Dimethyl-3-[4-(1H-pyrazol-3-YL)piperidin-1-YL]propane-1-sulfonamide
CID 91828512
2-methylsulfanyl-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926900
N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 71927084
3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide
CID 71927087
2-methyl-3-methylsulfanyl-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 72121331

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine (CID 71927051) is 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine is Cc1cc(C2CCCN(CCCS(C)(=O)=O)C2)n[nH]1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine?
The InChIKey is SMAJBGIXCKUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11-9-13(15-14-11)12-5-3-6-16(10-12)7-4-8-19(2,17)18/h9,12H,3-8,10H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine?
3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine has a molecular weight of 285.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine is sourced from PubChem (CID 71927051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).