5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole

C13H15N3O2S — CID 110256953

IUPAC5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESO=S(=O)(c1ccccc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C13H15N3O2S/c17-19(18,11-5-2-1-3-6-11)16-10-4-7-13(16)12-8-9-14-15-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,14,15)
InChIKeyYUYHLUZPOKKWLV-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.94
Rot. Bonds3

About 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole

5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 110256953) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole
PubChem CID110256953
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESO=S(=O)(c1ccccc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C13H15N3O2S/c17-19(18,11-5-2-1-3-6-11)16-10-4-7-13(16)12-8-9-14-15-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,14,15)
InChIKeyYUYHLUZPOKKWLV-UHFFFAOYSA-N
XLogP1.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole (CID 110256953) is 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole is O=S(=O)(c1ccccc1)N1CCCC1c1ccn[nH]1.
What is the InChIKey of 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is YUYHLUZPOKKWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-19(18,11-5-2-1-3-6-11)16-10-4-7-13(16)12-8-9-14-15-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,14,15).
What are the key properties of 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole?
5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 277.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 110256953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).