4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole

C15H18ClN3O2S — CID 128587534

IUPAC4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-10-15(11(2)18(3)17-10)22(20,21)19-8-13(9-19)12-5-4-6-14(16)7-12/h4-7,13H,8-9H2,1-3H3
InChIKeyTTYMWMKDYHXUIU-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.48
Rot. Bonds3

About 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole

4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole (PubChem CID 128587534) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
PubChem CID128587534
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-10-15(11(2)18(3)17-10)22(20,21)19-8-13(9-19)12-5-4-6-14(16)7-12/h4-7,13H,8-9H2,1-3H3
InChIKeyTTYMWMKDYHXUIU-UHFFFAOYSA-N
XLogP2.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 125419860
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
(3R)-3,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 164631248
(2,4-dichlorophenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078832
7-(2-chlorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-thiazepane
CID 90629980
(1S)-1-phenyl-3-[5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-amine
CID 69146873
4-(3,4-dichlorophenoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 72548614
4-(3,3-difluoroazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole
CID 122269495
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine
CID 55907011
1-[3-(trifluoromethyl)phenyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19682890
(3S,4S)-4-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120961700

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole (CID 128587534) is 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The InChIKey is TTYMWMKDYHXUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-15(11(2)18(3)17-10)22(20,21)19-8-13(9-19)12-5-4-6-14(16)7-12/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole has a molecular weight of 339.85 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 128587534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).