4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine

C13H16N4O2S — CID 60910841

IUPAC4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C13H16N4O2S/c1-10-13(9-15-16-10)20(18,19)17-8-2-3-12(17)11-4-6-14-7-5-11/h4-7,9,12H,2-3,8H2,1H3,(H,15,16)
InChIKeyQGVSAPCUXWBWPG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.64
Rot. Bonds3

About 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine

4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine (PubChem CID 60910841) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
PubChem CID60910841
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C13H16N4O2S/c1-10-13(9-15-16-10)20(18,19)17-8-2-3-12(17)11-4-6-14-7-5-11/h4-7,9,12H,2-3,8H2,1H3,(H,15,16)
InChIKeyQGVSAPCUXWBWPG-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 63932853
4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
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4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
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4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
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[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871642
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110871668
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine (CID 60910841) is 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine is Cc1[nH]ncc1S(=O)(=O)N1CCCC1c1ccncc1.
What is the InChIKey of 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine?
The InChIKey is QGVSAPCUXWBWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10-13(9-15-16-10)20(18,19)17-8-2-3-12(17)11-4-6-14-7-5-11/h4-7,9,12H,2-3,8H2,1H3,(H,15,16).
What are the key properties of 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine?
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine has a molecular weight of 292.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 60910841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).