4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine

C13H16N4O2S — CID 95824755

IUPAC4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
SMILESO=S(=O)(c1cn[nH]c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C13H16N4O2S/c18-20(19,13-9-15-16-10-13)17-7-3-12(4-8-17)11-1-5-14-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,15,16)
InChIKeyHPICGXRRGJBUCK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.37
Rot. Bonds3

About 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine

4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine (PubChem CID 95824755) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
PubChem CID95824755
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
SMILESO=S(=O)(c1cn[nH]c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C13H16N4O2S/c18-20(19,13-9-15-16-10-13)17-7-3-12(4-8-17)11-1-5-14-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,15,16)
InChIKeyHPICGXRRGJBUCK-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47268244
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
CID 18328899
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine
CID 171678480
4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
CID 126809932
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 99844527
2-(1H-pyrazol-4-ylsulfonyl)-1,3-dihydroisoindole
CID 55049245

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine (CID 95824755) is 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine is O=S(=O)(c1cn[nH]c1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine?
The InChIKey is HPICGXRRGJBUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-20(19,13-9-15-16-10-13)17-7-3-12(4-8-17)11-1-5-14-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,15,16).
What are the key properties of 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine?
4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine has a molecular weight of 292.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 95824755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).