5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole

C8H11F2N3O3S — CID 138006958

IUPAC5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole
SMILESCOCn1nccc1S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3O3S/c1-16-6-13-7(2-3-11-13)17(14,15)12-4-8(9,10)5-12/h2-3H,4-6H2,1H3
InChIKeyNGNMXMIBGAFFCX-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.13
Rot. Bonds4

About 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole

5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole (PubChem CID 138006958) has the molecular formula C8H11F2N3O3S and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole
PubChem CID138006958
Molecular FormulaC8H11F2N3O3S
Molecular Weight267.26 g/mol
Exact Mass267.05
IUPAC Name5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole
SMILESCOCn1nccc1S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3O3S/c1-16-6-13-7(2-3-11-13)17(14,15)12-4-8(9,10)5-12/h2-3H,4-6H2,1H3
InChIKeyNGNMXMIBGAFFCX-UHFFFAOYSA-N
XLogP0.13
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole?
The IUPAC name of 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole (CID 138006958) is 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole.
What is the SMILES notation for 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole?
The canonical SMILES for 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole is COCn1nccc1S(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole?
The InChIKey is NGNMXMIBGAFFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O3S/c1-16-6-13-7(2-3-11-13)17(14,15)12-4-8(9,10)5-12/h2-3H,4-6H2,1H3.
What are the key properties of 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole?
5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole has a molecular weight of 267.26 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole is sourced from PubChem (CID 138006958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).