propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate

C10H16N2O2S — CID 62408199

IUPACpropan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate
SMILESCc1cc(SCC(=O)OC(C)C)n(C)n1
InChIInChI=1S/C10H16N2O2S/c1-7(2)14-10(13)6-15-9-5-8(3)11-12(9)4/h5,7H,6H2,1-4H3
InChIKeyYIRBZSICVNKPSR-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.77
Rot. Bonds4

About propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate

propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate (PubChem CID 62408199) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate
PubChem CID62408199
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namepropan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate
SMILESCc1cc(SCC(=O)OC(C)C)n(C)n1
InChIInChI=1S/C10H16N2O2S/c1-7(2)14-10(13)6-15-9-5-8(3)11-12(9)4/h5,7H,6H2,1-4H3
InChIKeyYIRBZSICVNKPSR-UHFFFAOYSA-N
XLogP1.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate 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 propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate (CID 62408199) is propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate is Cc1cc(SCC(=O)OC(C)C)n(C)n1.
What is the InChIKey of propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate?
The InChIKey is YIRBZSICVNKPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)14-10(13)6-15-9-5-8(3)11-12(9)4/h5,7H,6H2,1-4H3.
What are the key properties of propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate?
propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate has a molecular weight of 228.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate is sourced from PubChem (CID 62408199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).