5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one

C19H20N4O — CID 748787

IUPAC5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCc1cc(C)c(/N=N/c2c(C)[nH]n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C19H20N4O/c1-12-10-13(2)17(14(3)11-12)20-21-18-15(4)22-23(19(18)24)16-8-6-5-7-9-16/h5-11,22H,1-4H3/b21-20+
InChIKeyNSJGCJXRJWCMNT-QZQOTICOSA-N
MW320.40 g/mol
LogP4.81
Rot. Bonds3

About 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one

5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one (PubChem CID 748787) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one
PubChem CID748787
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCc1cc(C)c(/N=N/c2c(C)[nH]n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C19H20N4O/c1-12-10-13(2)17(14(3)11-12)20-21-18-15(4)22-23(19(18)24)16-8-6-5-7-9-16/h5-11,22H,1-4H3/b21-20+
InChIKeyNSJGCJXRJWCMNT-QZQOTICOSA-N
XLogP4.81
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011
trimethyl-[3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]azanium
CID 135800784
(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea
CID 137309994
5-methyl-2-phenyl-4-[(4-prop-2-enylphenyl)diazenyl]-1H-pyrazol-3-one
CID 135719010
4-(cyclohexa-1,3-dien-1-yldiazenyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 155460008
sodium;chromium;bis(2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-methylsulfonylphenolate)
CID 163360205
5-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]-2-phenyl-1H-pyrazol-3-one
CID 3120438
2-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile
CID 948391
4-[(4-methoxy-2-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 3107535
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid
CID 542327
sodium;chromium(3+);bis(5-(dimethylsulfamoyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenolate)
CID 170840608

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one (CID 748787) is 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one is Cc1cc(C)c(/N=N/c2c(C)[nH]n(-c3ccccc3)c2=O)c(C)c1.
What is the InChIKey of 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one?
The InChIKey is NSJGCJXRJWCMNT-QZQOTICOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-10-13(2)17(14(3)11-12)20-21-18-15(4)22-23(19(18)24)16-8-6-5-7-9-16/h5-11,22H,1-4H3/b21-20+.
What are the key properties of 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one?
5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one has a molecular weight of 320.40 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 748787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).