2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone

C12H15BrN4O — CID 6499850

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)Cn2nc(C)c(Br)c2C)n1
InChIInChI=1S/C12H15BrN4O/c1-7-5-8(2)17(14-7)11(18)6-16-10(4)12(13)9(3)15-16/h5H,6H2,1-4H3
InChIKeyAGQZTECDACWPPS-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.42
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 6499850) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID6499850
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)Cn2nc(C)c(Br)c2C)n1
InChIInChI=1S/C12H15BrN4O/c1-7-5-8(2)17(14-7)11(18)6-16-10(4)12(13)9(3)15-16/h5H,6H2,1-4H3
InChIKeyAGQZTECDACWPPS-UHFFFAOYSA-N
XLogP2.42
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone 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 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 6499850) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(C(=O)Cn2nc(C)c(Br)c2C)n1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is AGQZTECDACWPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-7-5-8(2)17(14-7)11(18)6-16-10(4)12(13)9(3)15-16/h5H,6H2,1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 311.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 6499850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).