5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole

C15H18BrN3O2S — CID 20895753

IUPAC5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole
SMILESCCn1nccc1C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2S/c1-2-18-14(9-10-17-18)15-4-3-11-19(15)22(20,21)13-7-5-12(16)6-8-13/h5-10,15H,2-4,11H2,1H3
InChIKeyRKBQHKPYIXBWRG-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.19
Rot. Bonds4

About 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole

5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole (PubChem CID 20895753) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole
PubChem CID20895753
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole
SMILESCCn1nccc1C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2S/c1-2-18-14(9-10-17-18)15-4-3-11-19(15)22(20,21)13-7-5-12(16)6-8-13/h5-10,15H,2-4,11H2,1H3
InChIKeyRKBQHKPYIXBWRG-UHFFFAOYSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92870330
3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877769
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 92901991
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
1-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546215
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 3930433
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
3-(4-bromophenyl)-5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 5008973
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 120711614

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole?
The IUPAC name of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole (CID 20895753) is 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole.
What is the SMILES notation for 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole?
The canonical SMILES for 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole is CCn1nccc1C1CCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole?
The InChIKey is RKBQHKPYIXBWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-2-18-14(9-10-17-18)15-4-3-11-19(15)22(20,21)13-7-5-12(16)6-8-13/h5-10,15H,2-4,11H2,1H3.
What are the key properties of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole?
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole has a molecular weight of 384.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole is sourced from PubChem (CID 20895753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).