3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole

C6H11FN4OS — CID 146618696

IUPAC3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole
SMILES[H]N=S(N)(=O)c1nn(C(C)F)cc1C
InChIInChI=1S/C6H11FN4OS/c1-4-3-11(5(2)7)10-6(4)13(8,9)12/h3,5H,1-2H3,(H3,8,9,12)
InChIKeyXEDYJHVHJYGBRY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.96
Rot. Bonds2

About 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole

3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole (PubChem CID 146618696) has the molecular formula C6H11FN4OS and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole
PubChem CID146618696
Molecular FormulaC6H11FN4OS
Molecular Weight206.25 g/mol
Exact Mass206.06
IUPAC Name3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole
SMILES[H]N=S(N)(=O)c1nn(C(C)F)cc1C
InChIInChI=1S/C6H11FN4OS/c1-4-3-11(5(2)7)10-6(4)13(8,9)12/h3,5H,1-2H3,(H3,8,9,12)
InChIKeyXEDYJHVHJYGBRY-UHFFFAOYSA-N
XLogP0.96
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole?
The IUPAC name of 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole (CID 146618696) is 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole.
What is the SMILES notation for 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole?
The canonical SMILES for 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole is [H]N=S(N)(=O)c1nn(C(C)F)cc1C.
What is the InChIKey of 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole?
The InChIKey is XEDYJHVHJYGBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4OS/c1-4-3-11(5(2)7)10-6(4)13(8,9)12/h3,5H,1-2H3,(H3,8,9,12).
What are the key properties of 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole?
3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole has a molecular weight of 206.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole is sourced from PubChem (CID 146618696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).