1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C12H15BrN2OS — CID 64770983

IUPAC1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2ccc(Br)s2)n1
InChIInChI=1S/C12H15BrN2OS/c1-8(2)15-6-5-9(14-15)7-10(16)11-3-4-12(13)17-11/h3-6,8,10,16H,7H2,1-2H3
InChIKeyLNURMNAKHWDXLA-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.56
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 64770983) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID64770983
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2ccc(Br)s2)n1
InChIInChI=1S/C12H15BrN2OS/c1-8(2)15-6-5-9(14-15)7-10(16)11-3-4-12(13)17-11/h3-6,8,10,16H,7H2,1-2H3
InChIKeyLNURMNAKHWDXLA-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 64770983) is 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2ccc(Br)s2)n1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is LNURMNAKHWDXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-8(2)15-6-5-9(14-15)7-10(16)11-3-4-12(13)17-11/h3-6,8,10,16H,7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 315.24 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64770983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).