4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one

C16H16BrN5O — CID 133303195

IUPAC4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one
SMILESCn1ncc(NCCc2cnn(-c3ccccc3)c2)c(Br)c1=O
InChIInChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(10-19-21)18-8-7-12-9-20-22(11-12)13-5-3-2-4-6-13/h2-6,9-11,18H,7-8H2,1H3
InChIKeyXTEKPLCVJZODTL-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.38
Rot. Bonds5

About 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one

4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one (PubChem CID 133303195) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one
PubChem CID133303195
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one
SMILESCn1ncc(NCCc2cnn(-c3ccccc3)c2)c(Br)c1=O
InChIInChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(10-19-21)18-8-7-12-9-20-22(11-12)13-5-3-2-4-6-13/h2-6,9-11,18H,7-8H2,1H3
InChIKeyXTEKPLCVJZODTL-UHFFFAOYSA-N
XLogP2.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-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

Related Compounds

4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one
CID 133303134
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-bromo-2-methyl-5-[4-(N-methylanilino)butylamino]pyridazin-3-one
CID 133303735
5-[2-(1-benzothiophen-3-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 133303580
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
4-bromo-2-methyl-5-[2-(quinolin-2-ylamino)ethylamino]pyridazin-3-one
CID 133303797
4-bromo-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
CID 114440461
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
1-phenyl-4-propylpyrazole
CID 12902534
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
CID 114440462

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one (CID 133303195) is 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one is Cn1ncc(NCCc2cnn(-c3ccccc3)c2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one?
The InChIKey is XTEKPLCVJZODTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(10-19-21)18-8-7-12-9-20-22(11-12)13-5-3-2-4-6-13/h2-6,9-11,18H,7-8H2,1H3.
What are the key properties of 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one has a molecular weight of 374.24 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 133303195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).