3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one

C16H15N5O — CID 135490301

IUPAC3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
SMILESCc1ccc(/N=N/c2c(N)n(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)18-19-14-15(17)21(20-16(14)22)13-5-3-2-4-6-13/h2-10H,17H2,1H3,(H,20,22)/b19-18+
InChIKeyLWMJYCGEGQNFJO-VHEBQXMUSA-N
MW293.33 g/mol
LogP3.47
Rot. Bonds3

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

3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one (PubChem CID 135490301) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
PubChem CID135490301
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
SMILESCc1ccc(/N=N/c2c(N)n(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)18-19-14-15(17)21(20-16(14)22)13-5-3-2-4-6-13/h2-10H,17H2,1H3,(H,20,22)/b19-18+
InChIKeyLWMJYCGEGQNFJO-VHEBQXMUSA-N
XLogP3.47
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
(4E)-5-amino-2-phenyl-4-(phenylhydrazinylidene)pyrazol-3-one
CID 252194
(4Z)-5-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 626055
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(4-ethylphenyl)urea
CID 1292869
(4Z)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 703794
(4E)-5-methyl-4-[(2-methylphenyl)hydrazinylidene]-2-phenylpyrazol-3-one
CID 786618
1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methylphenyl)urea
CID 909951
5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2(1H)-one
CID 7313811
1-(4-butylphenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 24818659
5-methyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-2,7(1H,4H)-dione
CID 135431526
4-[(2-Fluorophenyl)hydrazinylidene]-5-imino-1-phenylpyrazolidin-3-one
CID 135490307
4-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzonitrile
CID 708168

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one (CID 135490301) is 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one is Cc1ccc(/N=N/c2c(N)n(-c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The InChIKey is LWMJYCGEGQNFJO-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)18-19-14-15(17)21(20-16(14)22)13-5-3-2-4-6-13/h2-10H,17H2,1H3,(H,20,22)/b19-18+.
What are the key properties of 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one has a molecular weight of 293.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 135490301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).