4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole

C18H22FN3O3S — CID 126795936

IUPAC4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H22FN3O3S/c19-15-4-1-3-14(11-15)18-5-2-8-22(18)26(23,24)17-12-20-21(13-17)16-6-9-25-10-7-16/h1,3-4,11-13,16,18H,2,5-10H2
InChIKeyNYSAFFWCTAGQMB-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.90
Rot. Bonds4

About 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole

4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole (PubChem CID 126795936) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
PubChem CID126795936
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H22FN3O3S/c19-15-4-1-3-14(11-15)18-5-2-8-22(18)26(23,24)17-12-20-21(13-17)16-6-9-25-10-7-16/h1,3-4,11-13,16,18H,2,5-10H2
InChIKeyNYSAFFWCTAGQMB-UHFFFAOYSA-N
XLogP2.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 126776665
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 99633642
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127
1-(difluoromethyl)-4-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51856001
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
(2S)-2-(3-fluorophenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 95078984
2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 53096212
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The IUPAC name of 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole (CID 126795936) is 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole is O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The InChIKey is NYSAFFWCTAGQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c19-15-4-1-3-14(11-15)18-5-2-8-22(18)26(23,24)17-12-20-21(13-17)16-6-9-25-10-7-16/h1,3-4,11-13,16,18H,2,5-10H2.
What are the key properties of 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole has a molecular weight of 379.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 126795936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).