2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine

C8H13N3O2S — CID 2772275

IUPAC2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C8H13N3O2S/c1-6-4-8(9)11(10-6)7-2-3-14(12,13)5-7/h4,7H,2-3,5,9H2,1H3
InChIKeyJAHOJHPUWJXETC-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.13
Rot. Bonds1

About 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine

2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine (PubChem CID 2772275) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine
PubChem CID2772275
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C8H13N3O2S/c1-6-4-8(9)11(10-6)7-2-3-14(12,13)5-7/h4,7H,2-3,5,9H2,1H3
InChIKeyJAHOJHPUWJXETC-UHFFFAOYSA-N
XLogP0.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine 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 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine (CID 2772275) is 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine is Cc1cc(N)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine?
The InChIKey is JAHOJHPUWJXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-4-8(9)11(10-6)7-2-3-14(12,13)5-7/h4,7H,2-3,5,9H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine?
2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine has a molecular weight of 215.28 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 2772275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).