1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol

C12H15ClN2OS — CID 103407860

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2scc(C)c2Cl)cn1
InChIInChI=1S/C12H15ClN2OS/c1-3-15-6-9(5-14-15)4-10(16)12-11(13)8(2)7-17-12/h5-7,10,16H,3-4H2,1-2H3
InChIKeyPCDCZGBTEOQWIJ-UHFFFAOYSA-N
MW270.79 g/mol
LogP3.20
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol

1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 103407860) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID103407860
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2scc(C)c2Cl)cn1
InChIInChI=1S/C12H15ClN2OS/c1-3-15-6-9(5-14-15)4-10(16)12-11(13)8(2)7-17-12/h5-7,10,16H,3-4H2,1-2H3
InChIKeyPCDCZGBTEOQWIJ-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)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

2-(1-ethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769635
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408089
N-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377
1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63893599
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 103408103
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065771
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822839
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol (CID 103407860) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(CC(O)c2scc(C)c2Cl)cn1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is PCDCZGBTEOQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-3-15-6-9(5-14-15)4-10(16)12-11(13)8(2)7-17-12/h5-7,10,16H,3-4H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 270.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103407860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).