2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one

C12H14N4O — CID 2805901

IUPAC2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCc1ccc(/N=N/c2c(C)[nH]n(C)c2=O)cc1
InChIInChI=1S/C12H14N4O/c1-8-4-6-10(7-5-8)13-14-11-9(2)15-16(3)12(11)17/h4-7,15H,1-3H3/b14-13+
InChIKeyWUNQPZIEZOCXKG-BUHFOSPRSA-N
MW230.27 g/mol
LogP2.75
Rot. Bonds2

About 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one

2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one (PubChem CID 2805901) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
PubChem CID2805901
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCc1ccc(/N=N/c2c(C)[nH]n(C)c2=O)cc1
InChIInChI=1S/C12H14N4O/c1-8-4-6-10(7-5-8)13-14-11-9(2)15-16(3)12(11)17/h4-7,15H,1-3H3/b14-13+
InChIKeyWUNQPZIEZOCXKG-BUHFOSPRSA-N
XLogP2.75
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.75
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

(4Z)-5-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 626055
4-Phenylhydrazono-3-methyl-2-pyrazolin-5-one
CID 318025
(4E)-3-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 681156
Vegfr-2-IN-32
CID 135686834
1-Triazene, 3-acetyl-3-methyl-1-(4-methylphenyl)-
CID 105390
(4Z)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 703810
5-methyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-2,7(1H,4H)-dione
CID 135431526
1-[(4-methylphenyl)amino]-1H-pyrrole-2,5-dione
CID 781245
4-[Methyl-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]amino]benzonitrile
CID 71601100
5-(4-aminophenyl)-2,3-dihydro-1H-pyrazol-3-one
CID 11600758
3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
CID 2736898
2-[(3-Methyl-5-oxo-4-pyrazolyl)hydrazo]benzonitrile
CID 833026

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one (CID 2805901) is 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one is Cc1ccc(/N=N/c2c(C)[nH]n(C)c2=O)cc1.
What is the InChIKey of 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
The InChIKey is WUNQPZIEZOCXKG-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-4-6-10(7-5-8)13-14-11-9(2)15-16(3)12(11)17/h4-7,15H,1-3H3/b14-13+.
What are the key properties of 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one has a molecular weight of 230.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 2805901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).