2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone

C12H19N3OS — CID 116609657

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
SMILESCCn1nc(C)cc1CC(=O)C1CSCCN1
InChIInChI=1S/C12H19N3OS/c1-3-15-10(6-9(2)14-15)7-12(16)11-8-17-5-4-13-11/h6,11,13H,3-5,7-8H2,1-2H3
InChIKeyRYFJADLVASKTMF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.03
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone

2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609657) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
PubChem CID116609657
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
SMILESCCn1nc(C)cc1CC(=O)C1CSCCN1
InChIInChI=1S/C12H19N3OS/c1-3-15-10(6-9(2)14-15)7-12(16)11-8-17-5-4-13-11/h6,11,13H,3-5,7-8H2,1-2H3
InChIKeyRYFJADLVASKTMF-UHFFFAOYSA-N
XLogP1.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609723
1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 80601563
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 116573207
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779788
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 106600644
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586576
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
CID 82905664
2-(2-methyl-1,2,4-triazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609655

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone (CID 116609657) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone is CCn1nc(C)cc1CC(=O)C1CSCCN1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone?
The InChIKey is RYFJADLVASKTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-15-10(6-9(2)14-15)7-12(16)11-8-17-5-4-13-11/h6,11,13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone has a molecular weight of 253.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).