2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

C12H21N3OS — CID 103595617

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCc1cc(CC(O)C2CSCCN2C)n(C)n1
InChIInChI=1S/C12H21N3OS/c1-9-6-10(15(3)13-9)7-12(16)11-8-17-5-4-14(11)2/h6,11-12,16H,4-5,7-8H2,1-3H3
InChIKeyCZGCFYOKGVSIOT-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.68
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (PubChem CID 103595617) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
PubChem CID103595617
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCc1cc(CC(O)C2CSCCN2C)n(C)n1
InChIInChI=1S/C12H21N3OS/c1-9-6-10(15(3)13-9)7-12(16)11-8-17-5-4-14(11)2/h6,11-12,16H,4-5,7-8H2,1-3H3
InChIKeyCZGCFYOKGVSIOT-UHFFFAOYSA-N
XLogP0.68
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105158662
1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811424
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830
2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595829
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666506
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
3-[(2,5-dimethylpyrazol-3-yl)methyl]thietan-3-ol
CID 131124030

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (CID 103595617) is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is Cc1cc(CC(O)C2CSCCN2C)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The InChIKey is CZGCFYOKGVSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-6-10(15(3)13-9)7-12(16)11-8-17-5-4-14(11)2/h6,11-12,16H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol has a molecular weight of 255.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is sourced from PubChem (CID 103595617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).