3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole

C5H9FN4OS — CID 150170632

IUPAC3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole
SMILES[H]N=S(N)(=O)c1nn(CC)cc1F
InChIInChI=1S/C5H9FN4OS/c1-2-10-3-4(6)5(9-10)12(7,8)11/h3H,2H2,1H3,(H3,7,8,11)
InChIKeyFJIZTFVPEXLYIY-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.32
Rot. Bonds2

About 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole

3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole (PubChem CID 150170632) has the molecular formula C5H9FN4OS and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole
PubChem CID150170632
Molecular FormulaC5H9FN4OS
Molecular Weight192.22 g/mol
Exact Mass192.05
IUPAC Name3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole
SMILES[H]N=S(N)(=O)c1nn(CC)cc1F
InChIInChI=1S/C5H9FN4OS/c1-2-10-3-4(6)5(9-10)12(7,8)11/h3H,2H2,1H3,(H3,7,8,11)
InChIKeyFJIZTFVPEXLYIY-UHFFFAOYSA-N
XLogP0.32
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole?
The IUPAC name of 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole (CID 150170632) is 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole.
What is the SMILES notation for 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole?
The canonical SMILES for 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole is [H]N=S(N)(=O)c1nn(CC)cc1F.
What is the InChIKey of 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole?
The InChIKey is FJIZTFVPEXLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4OS/c1-2-10-3-4(6)5(9-10)12(7,8)11/h3H,2H2,1H3,(H3,7,8,11).
What are the key properties of 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole?
3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole has a molecular weight of 192.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole is sourced from PubChem (CID 150170632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).