1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol

C7H10N2O3S — CID 117124747

IUPAC1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol
SMILESO=S1(=O)CCCC1n1cc(O)cn1
InChIInChI=1S/C7H10N2O3S/c10-6-4-8-9(5-6)7-2-1-3-13(7,11)12/h4-5,7,10H,1-3H2
InChIKeyRAHLOJZKIGFQSH-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.30
Rot. Bonds1

About 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol

1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol (PubChem CID 117124747) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol
PubChem CID117124747
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol
SMILESO=S1(=O)CCCC1n1cc(O)cn1
InChIInChI=1S/C7H10N2O3S/c10-6-4-8-9(5-6)7-2-1-3-13(7,11)12/h4-5,7,10H,1-3H2
InChIKeyRAHLOJZKIGFQSH-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol 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 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol?
The IUPAC name of 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol (CID 117124747) is 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol is O=S1(=O)CCCC1n1cc(O)cn1.
What is the InChIKey of 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol?
The InChIKey is RAHLOJZKIGFQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-6-4-8-9(5-6)7-2-1-3-13(7,11)12/h4-5,7,10H,1-3H2.
What are the key properties of 1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol?
1-(1,1-dioxothiolan-2-yl)pyrazol-4-ol has a molecular weight of 202.23 g/mol, XLogP of 0.30, 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-2-yl)pyrazol-4-ol is sourced from PubChem (CID 117124747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).