(4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone

C8H4Br2N2OS — CID 4767688

IUPAC(4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(Br)c(Br)s1)n1cccn1
InChIInChI=1S/C8H4Br2N2OS/c9-5-4-6(14-7(5)10)8(13)12-3-1-2-11-12/h1-4H
InChIKeyOAAORMFLOKDSFQ-UHFFFAOYSA-N
MW336.01 g/mol
LogP3.16
Rot. Bonds1

About (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone

(4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone (PubChem CID 4767688) has the molecular formula C8H4Br2N2OS and a molecular weight of 336.01 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone
PubChem CID4767688
Molecular FormulaC8H4Br2N2OS
Molecular Weight336.01 g/mol
Exact Mass333.84
IUPAC Name(4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(Br)c(Br)s1)n1cccn1
InChIInChI=1S/C8H4Br2N2OS/c9-5-4-6(14-7(5)10)8(13)12-3-1-2-11-12/h1-4H
InChIKeyOAAORMFLOKDSFQ-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.01
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone (CID 4767688) is (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone is O=C(c1cc(Br)c(Br)s1)n1cccn1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone?
The InChIKey is OAAORMFLOKDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2OS/c9-5-4-6(14-7(5)10)8(13)12-3-1-2-11-12/h1-4H.
What are the key properties of (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone?
(4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone has a molecular weight of 336.01 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 4767688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).