3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole

C6H11FN4OS — CID 167337050

IUPAC3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole
SMILES[H]N=S(N)(=O)c1nn(C(C)C)cc1F
InChIInChI=1S/C6H11FN4OS/c1-4(2)11-3-5(7)6(10-11)13(8,9)12/h3-4H,1-2H3,(H3,8,9,12)
InChIKeyBYFNVEVRCQDVDR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.88
Rot. Bonds2

About 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole

3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole (PubChem CID 167337050) has the molecular formula C6H11FN4OS and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole
PubChem CID167337050
Molecular FormulaC6H11FN4OS
Molecular Weight206.25 g/mol
Exact Mass206.06
IUPAC Name3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole
SMILES[H]N=S(N)(=O)c1nn(C(C)C)cc1F
InChIInChI=1S/C6H11FN4OS/c1-4(2)11-3-5(7)6(10-11)13(8,9)12/h3-4H,1-2H3,(H3,8,9,12)
InChIKeyBYFNVEVRCQDVDR-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole?
The IUPAC name of 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole (CID 167337050) is 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole is [H]N=S(N)(=O)c1nn(C(C)C)cc1F.
What is the InChIKey of 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole?
The InChIKey is BYFNVEVRCQDVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4OS/c1-4(2)11-3-5(7)6(10-11)13(8,9)12/h3-4H,1-2H3,(H3,8,9,12).
What are the key properties of 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole?
3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole has a molecular weight of 206.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole is sourced from PubChem (CID 167337050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).