4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine

C10H17N3O2S — CID 47268285

IUPAC4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H17N3O2S/c1-2-9-3-5-13(6-4-9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyHZVQSJAJFOUWSK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.22
Rot. Bonds3

About 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine

4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (PubChem CID 47268285) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
PubChem CID47268285
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H17N3O2S/c1-2-9-3-5-13(6-4-9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyHZVQSJAJFOUWSK-UHFFFAOYSA-N
XLogP1.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
rac-(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane
CID 131898755
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-1H-pyrazole-4-sulfonamide
CID 131950420
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876542
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876999
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60916745
1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 61274671
1-(1H-pyrazol-4-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 65530849
N-methyl-1-[5-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65824365

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The IUPAC name of 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (CID 47268285) is 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.
What is the SMILES notation for 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The canonical SMILES for 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is CCC1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The InChIKey is HZVQSJAJFOUWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-9-3-5-13(6-4-9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine has a molecular weight of 243.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is sourced from PubChem (CID 47268285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).