3-(2-methylpyrazol-3-yl)thiolan-3-ol

C8H12N2OS — CID 79950623

IUPAC3-(2-methylpyrazol-3-yl)thiolan-3-ol
SMILESCn1nccc1C1(O)CCSC1
InChIInChI=1S/C8H12N2OS/c1-10-7(2-4-9-10)8(11)3-5-12-6-8/h2,4,11H,3,5-6H2,1H3
InChIKeyQEDGKEUOSICEMV-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.74
Rot. Bonds1

About 3-(2-methylpyrazol-3-yl)thiolan-3-ol

3-(2-methylpyrazol-3-yl)thiolan-3-ol (PubChem CID 79950623) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)thiolan-3-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)thiolan-3-ol
PubChem CID79950623
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-(2-methylpyrazol-3-yl)thiolan-3-ol
SMILESCn1nccc1C1(O)CCSC1
InChIInChI=1S/C8H12N2OS/c1-10-7(2-4-9-10)8(11)3-5-12-6-8/h2,4,11H,3,5-6H2,1H3
InChIKeyQEDGKEUOSICEMV-UHFFFAOYSA-N
XLogP0.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpyrazol-3-yl)thiolan-3-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 3-(2-methylpyrazol-3-yl)thiolan-3-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)thiolan-3-ol (CID 79950623) is 3-(2-methylpyrazol-3-yl)thiolan-3-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)thiolan-3-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)thiolan-3-ol is Cn1nccc1C1(O)CCSC1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)thiolan-3-ol?
The InChIKey is QEDGKEUOSICEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-7(2-4-9-10)8(11)3-5-12-6-8/h2,4,11H,3,5-6H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)thiolan-3-ol?
3-(2-methylpyrazol-3-yl)thiolan-3-ol has a molecular weight of 184.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)thiolan-3-ol is sourced from PubChem (CID 79950623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).