1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide

C6H9FN4O2S — CID 57132650

IUPAC1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(S(=O)(=O)CCF)n1
InChIInChI=1S/C6H9FN4O2S/c7-2-4-14(12,13)11-3-1-5(10-11)6(8)9/h1,3H,2,4H2,(H3,8,9)
InChIKeyAYLYCLSWMUQBLM-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.69
Rot. Bonds4

About 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide

1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide (PubChem CID 57132650) has the molecular formula C6H9FN4O2S and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide
PubChem CID57132650
Molecular FormulaC6H9FN4O2S
Molecular Weight220.23 g/mol
Exact Mass220.04
IUPAC Name1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(S(=O)(=O)CCF)n1
InChIInChI=1S/C6H9FN4O2S/c7-2-4-14(12,13)11-3-1-5(10-11)6(8)9/h1,3H,2,4H2,(H3,8,9)
InChIKeyAYLYCLSWMUQBLM-UHFFFAOYSA-N
XLogP-0.69
TPSA101.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-sulfanylpyrazole-3-carboximidamide
CID 68503147
1-methylsulfinylpyrazole-3-carboximidamide
CID 57271563
pyridine-2,6-dicarboximidamide
CID 23373306
1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210917
6-imidazol-1-ylpyridine-2-carboximidamide
CID 64595368
triazine-4-carboximidamide
CID 154182712
5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide
CID 57267518
6-chloroimidazo[1,2-b]pyridazine-3-carboximidamide
CID 83879652
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
2H-triazole-4-carboximidamide;hydrochloride
CID 136981736
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
6-ethylpyridine-2-carboximidamide
CID 14253206

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide?
The IUPAC name of 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide (CID 57132650) is 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide.
What is the SMILES notation for 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide?
The canonical SMILES for 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide is [H]/N=C(\N)c1ccn(S(=O)(=O)CCF)n1.
What is the InChIKey of 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide?
The InChIKey is AYLYCLSWMUQBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O2S/c7-2-4-14(12,13)11-3-1-5(10-11)6(8)9/h1,3H,2,4H2,(H3,8,9).
What are the key properties of 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide?
1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide has a molecular weight of 220.23 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide is sourced from PubChem (CID 57132650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).