3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide

C12H22N4O2S — CID 71927049

IUPAC3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCc1cc(C2CCCN(CCCS(N)(=O)=O)C2)n[nH]1
InChIInChI=1S/C12H22N4O2S/c1-10-8-12(15-14-10)11-4-2-5-16(9-11)6-3-7-19(13,17)18/h8,11H,2-7,9H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyHQULKDXUFOFQIT-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.58
Rot. Bonds5

About 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide

3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 71927049) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID71927049
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCc1cc(C2CCCN(CCCS(N)(=O)=O)C2)n[nH]1
InChIInChI=1S/C12H22N4O2S/c1-10-8-12(15-14-10)11-4-2-5-16(9-11)6-3-7-19(13,17)18/h8,11H,2-7,9H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyHQULKDXUFOFQIT-UHFFFAOYSA-N
XLogP0.58
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 71926947
3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
CID 71927051
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 72121215
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464
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
3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71695335
4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]piperazine-1-sulfonamide
CID 77088565
N,N-Dimethyl-3-[4-(1H-pyrazol-3-YL)piperidin-1-YL]propane-1-sulfonamide
CID 91828512
3-(3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N,N-dimethylpropane-1-sulfonamide
CID 91834354
N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 71927084

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide (CID 71927049) is 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide is Cc1cc(C2CCCN(CCCS(N)(=O)=O)C2)n[nH]1.
What is the InChIKey of 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is HQULKDXUFOFQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-8-12(15-14-10)11-4-2-5-16(9-11)6-3-7-19(13,17)18/h8,11H,2-7,9H2,1H3,(H,14,15)(H2,13,17,18).
What are the key properties of 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 71927049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).