2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one

C20H24N6O — CID 28685245

IUPAC2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(Cc3ccccc3Cn3cccn3)CC2)cc1=O
InChIInChI=1S/C20H24N6O/c1-23-20(27)13-19(14-22-23)25-11-9-24(10-12-25)15-17-5-2-3-6-18(17)16-26-8-4-7-21-26/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyVSXVUQJUWRKDBQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.35
Rot. Bonds5

About 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 28685245) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
PubChem CID28685245
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(Cc3ccccc3Cn3cccn3)CC2)cc1=O
InChIInChI=1S/C20H24N6O/c1-23-20(27)13-19(14-22-23)25-11-9-24(10-12-25)15-17-5-2-3-6-18(17)16-26-8-4-7-21-26/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyVSXVUQJUWRKDBQ-UHFFFAOYSA-N
XLogP1.35
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
2-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171998649
2-methyl-5-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171995056
5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 175648305
5-[4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171993178
3-fluoro-4-[[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 171995812
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
CID 118789531
(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 124757280
5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 77096181
2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one
CID 14726359
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one (CID 28685245) is 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(Cc3ccccc3Cn3cccn3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is VSXVUQJUWRKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-23-20(27)13-19(14-22-23)25-11-9-24(10-12-25)15-17-5-2-3-6-18(17)16-26-8-4-7-21-26/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 364.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 28685245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).