4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one

C16H16BrN5O — CID 133303134

IUPAC4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one
SMILESCn1ncc(NCCc2ccc(-n3cccn3)cc2)c(Br)c1=O
InChIInChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(11-20-21)18-9-7-12-3-5-13(6-4-12)22-10-2-8-19-22/h2-6,8,10-11,18H,7,9H2,1H3
InChIKeyZXUZLUJGWBPUKP-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.38
Rot. Bonds5

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

4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one (PubChem CID 133303134) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one
PubChem CID133303134
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one
SMILESCn1ncc(NCCc2ccc(-n3cccn3)cc2)c(Br)c1=O
InChIInChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(11-20-21)18-9-7-12-3-5-13(6-4-12)22-10-2-8-19-22/h2-6,8,10-11,18H,7,9H2,1H3
InChIKeyZXUZLUJGWBPUKP-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

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Related Compounds

4-bromo-2-methyl-5-[2-(1-phenylpyrazol-4-yl)ethylamino]pyridazin-3-one
CID 133303195
4-bromo-2-methyl-5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 133303303
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
4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114434953
4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
CID 133303721
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
CID 115624079
4-bromo-2-(2-hydroxyethyl)-5-[2-(4-hydroxyphenyl)ethylamino]pyridazin-3-one
CID 114434954
4-bromo-2-methyl-5-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazin-3-one
CID 113239915
7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one
CID 134135730
1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 32708087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one (CID 133303134) is 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one is Cn1ncc(NCCc2ccc(-n3cccn3)cc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one?
The InChIKey is ZXUZLUJGWBPUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(11-20-21)18-9-7-12-3-5-13(6-4-12)22-10-2-8-19-22/h2-6,8,10-11,18H,7,9H2,1H3.
What are the key properties of 4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)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-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 133303134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).