5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide

C9H10N6O2S — CID 165472746

IUPAC5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-n2cc(S(C)(=O)=O)cn2)cn1
InChIInChI=1S/C9H10N6O2S/c1-18(16,17)6-2-14-15(5-6)8-4-12-7(3-13-8)9(10)11/h2-5H,1H3,(H3,10,11)
InChIKeyHGFHPBFIYYLFFL-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.65
Rot. Bonds3

About 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide

5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide (PubChem CID 165472746) has the molecular formula C9H10N6O2S and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide
PubChem CID165472746
Molecular FormulaC9H10N6O2S
Molecular Weight266.29 g/mol
Exact Mass266.06
IUPAC Name5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-n2cc(S(C)(=O)=O)cn2)cn1
InChIInChI=1S/C9H10N6O2S/c1-18(16,17)6-2-14-15(5-6)8-4-12-7(3-13-8)9(10)11/h2-5H,1H3,(H3,10,11)
InChIKeyHGFHPBFIYYLFFL-UHFFFAOYSA-N
XLogP-0.65
TPSA127.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide (CID 165472746) is 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(-n2cc(S(C)(=O)=O)cn2)cn1.
What is the InChIKey of 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide?
The InChIKey is HGFHPBFIYYLFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S/c1-18(16,17)6-2-14-15(5-6)8-4-12-7(3-13-8)9(10)11/h2-5H,1H3,(H3,10,11).
What are the key properties of 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide?
5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide has a molecular weight of 266.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 165472746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).