1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine

C11H19N3O2S — CID 90495378

IUPAC1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCCS(=O)(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C11H19N3O2S/c1-2-17(15,16)14-8-4-11(5-9-14)10-13-7-3-6-12-13/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyWNTFGNWZNWHPTD-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.94
Rot. Bonds4

About 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine

1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 90495378) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID90495378
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCCS(=O)(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C11H19N3O2S/c1-2-17(15,16)14-8-4-11(5-9-14)10-13-7-3-6-12-13/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyWNTFGNWZNWHPTD-UHFFFAOYSA-N
XLogP0.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 71781207
1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 71781202
4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine
CID 130312588
N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495302
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(pyrazol-1-ylmethyl)piperidine
CID 71781189
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
CID 131890431

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine (CID 90495378) is 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine is CCS(=O)(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is WNTFGNWZNWHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-17(15,16)14-8-4-11(5-9-14)10-13-7-3-6-12-13/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 257.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90495378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).