1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine

C12H21N3O2S — CID 110106536

IUPAC1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(Cc2[nH]ncc2C)C1
InChIInChI=1S/C12H21N3O2S/c1-3-18(16,17)15-6-4-5-11(9-15)7-12-10(2)8-13-14-12/h8,11H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyWVONCZOPQRIBPX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.32
Rot. Bonds4

About 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine

1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine (PubChem CID 110106536) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
PubChem CID110106536
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(Cc2[nH]ncc2C)C1
InChIInChI=1S/C12H21N3O2S/c1-3-18(16,17)15-6-4-5-11(9-15)7-12-10(2)8-13-14-12/h8,11H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyWVONCZOPQRIBPX-UHFFFAOYSA-N
XLogP1.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106641
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124955557
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide
CID 124976343
5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
CID 124942398
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 110106592
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124956560
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124992904

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The IUPAC name of 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine (CID 110106536) is 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine is CCS(=O)(=O)N1CCCC(Cc2[nH]ncc2C)C1.
What is the InChIKey of 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The InChIKey is WVONCZOPQRIBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-18(16,17)15-6-4-5-11(9-15)7-12-10(2)8-13-14-12/h8,11H,3-7,9H2,1-2H3,(H,13,14).
What are the key properties of 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine has a molecular weight of 271.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 110106536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).