4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine

C13H16N4O2S — CID 94162249

IUPAC4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cn1
InChIInChI=1S/C13H16N4O2S/c1-16-10-12(9-15-16)20(18,19)17-8-2-3-13(17)11-4-6-14-7-5-11/h4-7,9-10,13H,2-3,8H2,1H3/t13-/m1/s1
InChIKeyJEQFBDMHDPUPDL-CYBMUJFWSA-N
MW292.36 g/mol
LogP1.34
Rot. Bonds3

About 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine

4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 94162249) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID94162249
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cn1
InChIInChI=1S/C13H16N4O2S/c1-16-10-12(9-15-16)20(18,19)17-8-2-3-13(17)11-4-6-14-7-5-11/h4-7,9-10,13H,2-3,8H2,1H3/t13-/m1/s1
InChIKeyJEQFBDMHDPUPDL-CYBMUJFWSA-N
XLogP1.34
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
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1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
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4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
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CID 60727492
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
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4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
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4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 106467625
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
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4-[1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 47021589

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine (CID 94162249) is 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine is Cn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cn1.
What is the InChIKey of 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is JEQFBDMHDPUPDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-16-10-12(9-15-16)20(18,19)17-8-2-3-13(17)11-4-6-14-7-5-11/h4-7,9-10,13H,2-3,8H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 292.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 94162249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).