3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one

C10H15N3O3S — CID 114508574

IUPAC3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
SMILESCCC1CN(S(=O)(=O)c2cn[nH]c2)CCC1=O
InChIInChI=1S/C10H15N3O3S/c1-2-8-7-13(4-3-10(8)14)17(15,16)9-5-11-12-6-9/h5-6,8H,2-4,7H2,1H3,(H,11,12)
InChIKeyINUSUYMZXLCACC-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.40
Rot. Bonds3

About 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one

3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one (PubChem CID 114508574) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
PubChem CID114508574
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
SMILESCCC1CN(S(=O)(=O)c2cn[nH]c2)CCC1=O
InChIInChI=1S/C10H15N3O3S/c1-2-8-7-13(4-3-10(8)14)17(15,16)9-5-11-12-6-9/h5-6,8H,2-4,7H2,1H3,(H,11,12)
InChIKeyINUSUYMZXLCACC-UHFFFAOYSA-N
XLogP0.40
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
3-ethyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-one
CID 114508567
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
CID 114508593
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
CID 63854886
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47268244

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one (CID 114508574) is 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one is CCC1CN(S(=O)(=O)c2cn[nH]c2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one?
The InChIKey is INUSUYMZXLCACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-8-7-13(4-3-10(8)14)17(15,16)9-5-11-12-6-9/h5-6,8H,2-4,7H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one?
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one has a molecular weight of 257.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one is sourced from PubChem (CID 114508574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).