5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

C13H14FN3O2S — CID 110270616

IUPAC5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESO=S(=O)(c1ccccc1F)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-2-4-13(11)20(18,19)17-8-6-10(9-17)12-5-7-15-16-12/h1-5,7,10H,6,8-9H2,(H,15,16)
InChIKeyBDNZKZDXQDTJHO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.73
Rot. Bonds3

About 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (PubChem CID 110270616) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
PubChem CID110270616
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESO=S(=O)(c1ccccc1F)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-2-4-13(11)20(18,19)17-8-6-10(9-17)12-5-7-15-16-12/h1-5,7,10H,6,8-9H2,(H,15,16)
InChIKeyBDNZKZDXQDTJHO-UHFFFAOYSA-N
XLogP1.73
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 95845003
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 124822700
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 124969146
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055
3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991867
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (CID 110270616) is 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is O=S(=O)(c1ccccc1F)N1CCC(c2ccn[nH]2)C1.
What is the InChIKey of 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is BDNZKZDXQDTJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-3-1-2-4-13(11)20(18,19)17-8-6-10(9-17)12-5-7-15-16-12/h1-5,7,10H,6,8-9H2,(H,15,16).
What are the key properties of 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 295.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 110270616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).