2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol

C14H20N2OS — CID 64785041

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc(C)s2)n1
InChIInChI=1S/C14H20N2OS/c1-4-10(2)16-8-7-12(15-16)9-13(17)14-6-5-11(3)18-14/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyBDZQQOOGPMXCDL-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.50
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 64785041) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID64785041
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc(C)s2)n1
InChIInChI=1S/C14H20N2OS/c1-4-10(2)16-8-7-12(15-16)9-13(17)14-6-5-11(3)18-14/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyBDZQQOOGPMXCDL-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-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

1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanol
CID 102830097
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115806455
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139654
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115806434
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
CID 106859288
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol (CID 64785041) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol is CCC(C)n1ccc(CC(O)c2ccc(C)s2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is BDZQQOOGPMXCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-10(2)16-8-7-12(15-16)9-13(17)14-6-5-11(3)18-14/h5-8,10,13,17H,4,9H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 264.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 64785041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).