3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine

C12H14N4O2S — CID 110271118

IUPAC3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C12H14N4O2S/c17-19(18,10-3-1-6-13-9-10)16-8-2-4-12(16)11-5-7-14-15-11/h1,3,5-7,9,12H,2,4,8H2,(H,14,15)
InChIKeyKXEADBSWSYOAJQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.33
Rot. Bonds3

About 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine

3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine (PubChem CID 110271118) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
PubChem CID110271118
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C12H14N4O2S/c17-19(18,10-3-1-6-13-9-10)16-8-2-4-12(16)11-5-7-14-15-11/h1,3,5-7,9,12H,2,4,8H2,(H,14,15)
InChIKeyKXEADBSWSYOAJQ-UHFFFAOYSA-N
XLogP1.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 110257208
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
CID 110250144
1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118741478
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
CID 124968551
3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
CID 87052217
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine (CID 110271118) is 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCCC1c1ccn[nH]1.
What is the InChIKey of 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine?
The InChIKey is KXEADBSWSYOAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-19(18,10-3-1-6-13-9-10)16-8-2-4-12(16)11-5-7-14-15-11/h1,3,5-7,9,12H,2,4,8H2,(H,14,15).
What are the key properties of 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine?
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine has a molecular weight of 278.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 110271118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).