2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol

C15H13BrN2OS — CID 105087208

IUPAC2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H13BrN2OS/c16-15-7-6-12(20-15)10-14(19)13-8-9-18(17-13)11-4-2-1-3-5-11/h1-9,14,19H,10H2
InChIKeyHJZKGISZTKHZTR-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.97
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol (PubChem CID 105087208) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol
PubChem CID105087208
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H13BrN2OS/c16-15-7-6-12(20-15)10-14(19)13-8-9-18(17-13)11-4-2-1-3-5-11/h1-9,14,19H,10H2
InChIKeyHJZKGISZTKHZTR-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Fluorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 130594771
2-[(5-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
CID 9798196
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(2-Methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 21909082
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
(3-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 115381011
[1-(4-Bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 145379490
2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
CID 172824361
[5-(2-Methylpyrazol-3-yl)thiophen-2-yl]methanol
CID 178133315

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol (CID 105087208) is 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol is OC(Cc1ccc(Br)s1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol?
The InChIKey is HJZKGISZTKHZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-15-7-6-12(20-15)10-14(19)13-8-9-18(17-13)11-4-2-1-3-5-11/h1-9,14,19H,10H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol has a molecular weight of 349.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105087208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).