2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide

C6H9N3O2S — CID 155432030

IUPAC2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide
SMILESCS(=O)c1[nH]ncc1CC(N)=O
InChIInChI=1S/C6H9N3O2S/c1-12(11)6-4(2-5(7)10)3-8-9-6/h3H,2H2,1H3,(H2,7,10)(H,8,9)
InChIKeyIBXSLXYLRMCUTF-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.83
Rot. Bonds3

About 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide

2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide (PubChem CID 155432030) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide
PubChem CID155432030
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide
SMILESCS(=O)c1[nH]ncc1CC(N)=O
InChIInChI=1S/C6H9N3O2S/c1-12(11)6-4(2-5(7)10)3-8-9-6/h3H,2H2,1H3,(H2,7,10)(H,8,9)
InChIKeyIBXSLXYLRMCUTF-UHFFFAOYSA-N
XLogP-0.83
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide (CID 155432030) is 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide is CS(=O)c1[nH]ncc1CC(N)=O.
What is the InChIKey of 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is IBXSLXYLRMCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-12(11)6-4(2-5(7)10)3-8-9-6/h3H,2H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide?
2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 187.22 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfinyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 155432030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).