5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole

C9H15N3O2S — CID 110250144

IUPAC5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
SMILESCCS(=O)(=O)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C9H15N3O2S/c1-2-15(13,14)12-7-3-4-9(12)8-5-6-10-11-8/h5-6,9H,2-4,7H2,1H3,(H,10,11)
InChIKeyZXVJUBNHHRHMPF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.90
Rot. Bonds3

About 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole

5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole (PubChem CID 110250144) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
PubChem CID110250144
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
SMILESCCS(=O)(=O)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C9H15N3O2S/c1-2-15(13,14)12-7-3-4-9(12)8-5-6-10-11-8/h5-6,9H,2-4,7H2,1H3,(H,10,11)
InChIKeyZXVJUBNHHRHMPF-UHFFFAOYSA-N
XLogP0.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 110257208
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118741478
4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine
CID 110132368
(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95843085
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
2-(3,4-dichlorophenyl)-1-ethylsulfonylpyrrolidine
CID 61356195
2-methyl-4-[5-[2-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylthiophen-2-yl]-1,3-thiazole
CID 166193962
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole?
The IUPAC name of 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole (CID 110250144) is 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole is CCS(=O)(=O)N1CCCC1c1ccn[nH]1.
What is the InChIKey of 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole?
The InChIKey is ZXVJUBNHHRHMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-15(13,14)12-7-3-4-9(12)8-5-6-10-11-8/h5-6,9H,2-4,7H2,1H3,(H,10,11).
What are the key properties of 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole?
5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole has a molecular weight of 229.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole is sourced from PubChem (CID 110250144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).