1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol

C12H16N2OS — CID 105089506

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
SMILESCCc1cc(C(O)Cc2ccsc2)n(C)n1
InChIInChI=1S/C12H16N2OS/c1-3-10-7-11(14(2)13-10)12(15)6-9-4-5-16-8-9/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeyLYHHPEYNUCXUKJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.32
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol

1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol (PubChem CID 105089506) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
PubChem CID105089506
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
SMILESCCc1cc(C(O)Cc2ccsc2)n(C)n1
InChIInChI=1S/C12H16N2OS/c1-3-10-7-11(14(2)13-10)12(15)6-9-4-5-16-8-9/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeyLYHHPEYNUCXUKJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol 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-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101039
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
CID 105123108
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105105696
2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105086935
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109760
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol (CID 105089506) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol is CCc1cc(C(O)Cc2ccsc2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol?
The InChIKey is LYHHPEYNUCXUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-10-7-11(14(2)13-10)12(15)6-9-4-5-16-8-9/h4-5,7-8,12,15H,3,6H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol has a molecular weight of 236.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105089506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).