4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one

C16H16N4O — CID 156513153

IUPAC4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCc1ccc(-c2cc(C)c(=O)n(-c3cnn(C)c3)n2)cc1
InChIInChI=1S/C16H16N4O/c1-11-4-6-13(7-5-11)15-8-12(2)16(21)20(18-15)14-9-17-19(3)10-14/h4-10H,1-3H3
InChIKeyBKGYYESCPSJJEI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.25
Rot. Bonds2

About 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one

4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one (PubChem CID 156513153) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
PubChem CID156513153
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCc1ccc(-c2cc(C)c(=O)n(-c3cnn(C)c3)n2)cc1
InChIInChI=1S/C16H16N4O/c1-11-4-6-13(7-5-11)15-8-12(2)16(21)20(18-15)14-9-17-19(3)10-14/h4-10H,1-3H3
InChIKeyBKGYYESCPSJJEI-UHFFFAOYSA-N
XLogP2.25
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411203
N-[(2S)-3,3-difluoro-2-hydroxypropyl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142410934
1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
CID 19588182
6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518042
N-(1-amino-1-oxopropan-2-yl)-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517948
methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate
CID 135308562
6-(4-chlorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 135304175
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-oxopyridazine-4-carboxamide
CID 175278146
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane
CID 142411209
6-(4-chlorophenyl)-N-[(1S)-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 147983067
6-(4-chlorophenyl)-4-(5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 164896823
cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411144

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
The IUPAC name of 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one (CID 156513153) is 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one.
What is the SMILES notation for 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
The canonical SMILES for 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one is Cc1ccc(-c2cc(C)c(=O)n(-c3cnn(C)c3)n2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
The InChIKey is BKGYYESCPSJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-4-6-13(7-5-11)15-8-12(2)16(21)20(18-15)14-9-17-19(3)10-14/h4-10H,1-3H3.
What are the key properties of 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one has a molecular weight of 280.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one is sourced from PubChem (CID 156513153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).