5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one

C18H18N4O — CID 136676848

IUPAC5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(NN=Cc2c(C)[nH]n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C18H18N4O/c1-13-8-10-15(11-9-13)20-19-12-17-14(2)21-22(18(17)23)16-6-4-3-5-7-16/h3-12,20-21H,1-2H3
InChIKeySJJXFZOLOFSBPY-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.23
Rot. Bonds4

About 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one

5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 136676848) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID136676848
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(NN=Cc2c(C)[nH]n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C18H18N4O/c1-13-8-10-15(11-9-13)20-19-12-17-14(2)21-22(18(17)23)16-6-4-3-5-7-16/h3-12,20-21H,1-2H3
InChIKeySJJXFZOLOFSBPY-UHFFFAOYSA-N
XLogP3.23
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one
CID 137070239
5-methyl-2-(4-methylphenyl)-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one
CID 135635142
6-methyl-3-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135496913
4-[[(2-chlorophenyl)hydrazinylidene]methyl]-5-methyl-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 137073523
5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
CID 135691152
4-[(dimethylhydrazinylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 867753
4-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 135579257
4-(tert-butyliminomethyl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 135628388
2-hydroxy-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenecarbothioamide
CID 171980572
N-[2-[(2E)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615624
4-[(2-bromo-4-methylphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 3112351
5-methyl-2-phenyl-4-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]-1H-pyrazol-3-one
CID 135998652

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one (CID 136676848) is 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one is Cc1ccc(NN=Cc2c(C)[nH]n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is SJJXFZOLOFSBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-8-10-15(11-9-13)20-19-12-17-14(2)21-22(18(17)23)16-6-4-3-5-7-16/h3-12,20-21H,1-2H3.
What are the key properties of 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 306.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 136676848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).