4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one

C8H7BrN4O — CID 103294214

IUPAC4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2cccnn2)c(=O)c1Br
InChIInChI=1S/C8H7BrN4O/c1-5-7(9)8(14)13(12-5)6-3-2-4-10-11-6/h2-4,12H,1H3
InChIKeyJGKGVEUDEQJNBD-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.03
Rot. Bonds1

About 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one

4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one (PubChem CID 103294214) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one
PubChem CID103294214
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2cccnn2)c(=O)c1Br
InChIInChI=1S/C8H7BrN4O/c1-5-7(9)8(14)13(12-5)6-3-2-4-10-11-6/h2-4,12H,1H3
InChIKeyJGKGVEUDEQJNBD-UHFFFAOYSA-N
XLogP1.03
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one 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-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one (CID 103294214) is 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one is Cc1[nH]n(-c2cccnn2)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The InChIKey is JGKGVEUDEQJNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c1-5-7(9)8(14)13(12-5)6-3-2-4-10-11-6/h2-4,12H,1H3.
What are the key properties of 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one has a molecular weight of 255.07 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-pyridazin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103294214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).