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

C14H17ClN2OS — CID 115832346

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c1-9-12(14(15)17(2)16-9)8-13(18)10-4-6-11(19-3)7-5-10/h4-7,13,18H,8H2,1-3H3
InChIKeyWXKCMVLFEPFQLK-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.38
Rot. Bonds4

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol (PubChem CID 115832346) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol
PubChem CID115832346
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c1-9-12(14(15)17(2)16-9)8-13(18)10-4-6-11(19-3)7-5-10/h4-7,13,18H,8H2,1-3H3
InChIKeyWXKCMVLFEPFQLK-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol 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

1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 115585074
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-pyrimidin-4-ylethanol
CID 113470079
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832377
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dibromophenyl)ethanol
CID 115832431
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228861
[1-(4-bromo-3-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 105334045
1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 113470054

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol (CID 115832346) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol is CSc1ccc(C(O)Cc2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol?
The InChIKey is WXKCMVLFEPFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-9-12(14(15)17(2)16-9)8-13(18)10-4-6-11(19-3)7-5-10/h4-7,13,18H,8H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol has a molecular weight of 296.82 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 115832346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).