1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine

C7H11N3O2S — CID 43531699

IUPAC1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESNc1cnn(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C7H11N3O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5,8H2
InChIKeyIVTUQRCGUSIBGT-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.18
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine

1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine (PubChem CID 43531699) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine
PubChem CID43531699
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESNc1cnn(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C7H11N3O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5,8H2
InChIKeyIVTUQRCGUSIBGT-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine (CID 43531699) is 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine is Nc1cnn(C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The InChIKey is IVTUQRCGUSIBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5,8H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine?
1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine has a molecular weight of 201.25 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 43531699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).