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

C10H17N3O3S — CID 114510125

IUPAC3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
SMILESCCC1CN(S(=O)(=O)c2cn[nH]c2)CCC1O
InChIInChI=1S/C10H17N3O3S/c1-2-8-7-13(4-3-10(8)14)17(15,16)9-5-11-12-6-9/h5-6,8,10,14H,2-4,7H2,1H3,(H,11,12)
InChIKeyQEOJEPOUDUHKBP-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.19
Rot. Bonds3

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

3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol (PubChem CID 114510125) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
PubChem CID114510125
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
SMILESCCC1CN(S(=O)(=O)c2cn[nH]c2)CCC1O
InChIInChI=1S/C10H17N3O3S/c1-2-8-7-13(4-3-10(8)14)17(15,16)9-5-11-12-6-9/h5-6,8,10,14H,2-4,7H2,1H3,(H,11,12)
InChIKeyQEOJEPOUDUHKBP-UHFFFAOYSA-N
XLogP0.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
CID 114508574
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanoic acid
CID 133133054
N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
CID 63854886
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47268244
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
CID 167911154

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol (CID 114510125) is 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol is CCC1CN(S(=O)(=O)c2cn[nH]c2)CCC1O.
What is the InChIKey of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol?
The InChIKey is QEOJEPOUDUHKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-8-7-13(4-3-10(8)14)17(15,16)9-5-11-12-6-9/h5-6,8,10,14H,2-4,7H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol?
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol has a molecular weight of 259.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 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-ol is sourced from PubChem (CID 114510125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).