1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C12H15ClN2OS — CID 79427869

IUPAC1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc(Cl)cs2)n1
InChIInChI=1S/C12H15ClN2OS/c1-8(2)15-4-3-10(14-15)6-11(16)12-5-9(13)7-17-12/h3-5,7-8,11,16H,6H2,1-2H3
InChIKeyHICQWEOPXSEGAI-UHFFFAOYSA-N
MW270.79 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 79427869) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID79427869
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc(Cl)cs2)n1
InChIInChI=1S/C12H15ClN2OS/c1-8(2)15-4-3-10(14-15)6-11(16)12-5-9(13)7-17-12/h3-5,7-8,11,16H,6H2,1-2H3
InChIKeyHICQWEOPXSEGAI-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 79427869) is 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2cc(Cl)cs2)n1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is HICQWEOPXSEGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-8(2)15-4-3-10(14-15)6-11(16)12-5-9(13)7-17-12/h3-5,7-8,11,16H,6H2,1-2H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 270.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 79427869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).