2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone

C9H6Br2N2OS — CID 61034668

IUPAC2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cn1cc(Br)cn1)c1ccc(Br)s1
InChIInChI=1S/C9H6Br2N2OS/c10-6-3-12-13(4-6)5-7(14)8-1-2-9(11)15-8/h1-4H,5H2
InChIKeyOBZYJAJBWSCUHT-UHFFFAOYSA-N
MW350.04 g/mol
LogP3.35
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone

2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone (PubChem CID 61034668) has the molecular formula C9H6Br2N2OS and a molecular weight of 350.04 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone
PubChem CID61034668
Molecular FormulaC9H6Br2N2OS
Molecular Weight350.04 g/mol
Exact Mass347.86
IUPAC Name2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cn1cc(Br)cn1)c1ccc(Br)s1
InChIInChI=1S/C9H6Br2N2OS/c10-6-3-12-13(4-6)5-7(14)8-1-2-9(11)15-8/h1-4H,5H2
InChIKeyOBZYJAJBWSCUHT-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.04
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone (CID 61034668) is 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone is O=C(Cn1cc(Br)cn1)c1ccc(Br)s1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
The InChIKey is OBZYJAJBWSCUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2OS/c10-6-3-12-13(4-6)5-7(14)8-1-2-9(11)15-8/h1-4H,5H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone?
2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone has a molecular weight of 350.04 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 61034668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).