2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol

C13H17BrN2OS — CID 105090951

IUPAC2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2sccc2Br)n(CC)n1
InChIInChI=1S/C13H17BrN2OS/c1-3-9-7-11(16(4-2)15-9)12(17)8-13-10(14)5-6-18-13/h5-7,12,17H,3-4,8H2,1-2H3
InChIKeyOXONMBOBFCLSGW-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.57
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 105090951) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
PubChem CID105090951
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2sccc2Br)n(CC)n1
InChIInChI=1S/C13H17BrN2OS/c1-3-9-7-11(16(4-2)15-9)12(17)8-13-10(14)5-6-18-13/h5-7,12,17H,3-4,8H2,1-2H3
InChIKeyOXONMBOBFCLSGW-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105139407
2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116708
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 105117842
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162836
N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 105139621
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
CID 105119200

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol (CID 105090951) is 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol is CCc1cc(C(O)Cc2sccc2Br)n(CC)n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is OXONMBOBFCLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c1-3-9-7-11(16(4-2)15-9)12(17)8-13-10(14)5-6-18-13/h5-7,12,17H,3-4,8H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 329.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 105090951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).