2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

C13H22ClN3OS — CID 103595562

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)C1CSCCN1C
InChIInChI=1S/C13H22ClN3OS/c1-4-17-10(13(14)9(2)15-17)7-12(18)11-8-19-6-5-16(11)3/h11-12,18H,4-8H2,1-3H3
InChIKeyWOUCIKPYABUBKI-UHFFFAOYSA-N
MW303.86 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (PubChem CID 103595562) has the molecular formula C13H22ClN3OS and a molecular weight of 303.86 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
PubChem CID103595562
Molecular FormulaC13H22ClN3OS
Molecular Weight303.86 g/mol
Exact Mass303.12
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)C1CSCCN1C
InChIInChI=1S/C13H22ClN3OS/c1-4-17-10(13(14)9(2)15-17)7-12(18)11-8-19-6-5-16(11)3/h11-12,18H,4-8H2,1-3H3
InChIKeyWOUCIKPYABUBKI-UHFFFAOYSA-N
XLogP1.82
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446499
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105107477
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 79659585
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965769
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79962616
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
CID 115813336
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963689
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
(2-ethylpyrazol-3-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595649
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445293

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (CID 103595562) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is CCn1nc(C)c(Cl)c1CC(O)C1CSCCN1C.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The InChIKey is WOUCIKPYABUBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3OS/c1-4-17-10(13(14)9(2)15-17)7-12(18)11-8-19-6-5-16(11)3/h11-12,18H,4-8H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol has a molecular weight of 303.86 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is sourced from PubChem (CID 103595562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).