5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole

C9H14FN3O2S — CID 155881756

IUPAC5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCc1nn(C)c(F)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H14FN3O2S/c1-7-8(9(10)12(2)11-7)16(14,15)13-5-3-4-6-13/h3-6H2,1-2H3
InChIKeyDFNMFTRORNTNPS-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.65
Rot. Bonds2

About 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole

5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole (PubChem CID 155881756) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
PubChem CID155881756
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC Name5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCc1nn(C)c(F)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H14FN3O2S/c1-7-8(9(10)12(2)11-7)16(14,15)13-5-3-4-6-13/h3-6H2,1-2H3
InChIKeyDFNMFTRORNTNPS-UHFFFAOYSA-N
XLogP0.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
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methyl (1S,5R)-3-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 124709941
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
CID 3868687
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90586561
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
CID 9184151
4-(3,3-difluoroazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole
CID 122269495
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 62061935
2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122340757
1-(cyclobutylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 126840769
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The IUPAC name of 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole (CID 155881756) is 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The canonical SMILES for 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole is Cc1nn(C)c(F)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The InChIKey is DFNMFTRORNTNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-7-8(9(10)12(2)11-7)16(14,15)13-5-3-4-6-13/h3-6H2,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole has a molecular weight of 247.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole is sourced from PubChem (CID 155881756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).