4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine

C11H19N3O2S — CID 54877065

IUPAC4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCCC1CCN(S(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C11H19N3O2S/c1-3-10-4-6-14(7-5-10)17(15,16)11-8-12-13-9(11)2/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyUXICLTQUNMUQSV-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.53
Rot. Bonds3

About 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine

4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine (PubChem CID 54877065) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
PubChem CID54877065
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCCC1CCN(S(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C11H19N3O2S/c1-3-10-4-6-14(7-5-10)17(15,16)11-8-12-13-9(11)2/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyUXICLTQUNMUQSV-UHFFFAOYSA-N
XLogP1.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1H-pyrazole-4-sulfonamide
CID 60911472
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 4469354
1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 95829678
4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine
CID 95841270
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidine
CID 4368065
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-4-(2,2,3,3-tetrafluoropropyl)piperazine
CID 72013748
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 3331839
N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877071
5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877118
N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55009766
N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55009862
5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60910816

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The IUPAC name of 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine (CID 54877065) is 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The canonical SMILES for 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine is CCC1CCN(S(=O)(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The InChIKey is UXICLTQUNMUQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-10-4-6-14(7-5-10)17(15,16)11-8-12-13-9(11)2/h8,10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine has a molecular weight of 257.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine is sourced from PubChem (CID 54877065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).