2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine

C7H11N3O2S — CID 154216646

IUPAC2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCCS1(=O)=O
InChIInChI=1S/C7H11N3O2S/c8-6-3-4-9-10(6)7-2-1-5-13(7,11)12/h3-4,7H,1-2,5,8H2
InChIKeyUQQAEXXMMYBKSS-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.17
Rot. Bonds1

About 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine

2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine (PubChem CID 154216646) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine
PubChem CID154216646
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCCS1(=O)=O
InChIInChI=1S/C7H11N3O2S/c8-6-3-4-9-10(6)7-2-1-5-13(7,11)12/h3-4,7H,1-2,5,8H2
InChIKeyUQQAEXXMMYBKSS-UHFFFAOYSA-N
XLogP0.17
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine?
The IUPAC name of 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine (CID 154216646) is 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine is Nc1ccnn1C1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine?
The InChIKey is UQQAEXXMMYBKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-6-3-4-9-10(6)7-2-1-5-13(7,11)12/h3-4,7H,1-2,5,8H2.
What are the key properties of 2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine?
2-(1,1-dioxothiolan-2-yl)pyrazol-3-amine has a molecular weight of 201.25 g/mol, XLogP of 0.17, 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-2-yl)pyrazol-3-amine is sourced from PubChem (CID 154216646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).