1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol

C15H14N2OS — CID 107329817

IUPAC1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1cccs1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-15(18,14-8-5-11-19-14)13-9-10-16-17(13)12-6-3-2-4-7-12/h2-11,18H,1H3
InChIKeyJTMQCZBWARPTGT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol

1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol (PubChem CID 107329817) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol
PubChem CID107329817
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1cccs1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-15(18,14-8-5-11-19-14)13-9-10-16-17(13)12-6-3-2-4-7-12/h2-11,18H,1H3
InChIKeyJTMQCZBWARPTGT-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107329790
1-amino-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107329988
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
CID 107330039
1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107330025
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836
1-(cyclopropylamino)-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107331455
1-(furan-3-yl)-1-thiophen-2-ylethanol
CID 63947725
1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol
CID 63220767
1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol
CID 63220679
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
CID 78963065

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol (CID 107329817) is 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol is CC(O)(c1cccs1)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The InChIKey is JTMQCZBWARPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-15(18,14-8-5-11-19-14)13-9-10-16-17(13)12-6-3-2-4-7-12/h2-11,18H,1H3.
What are the key properties of 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol?
1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol has a molecular weight of 270.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 107329817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).