5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one

C10H10N4O3 — CID 135709862

IUPAC5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(O)[nH][nH]c2=O)cc1
InChIInChI=1S/C10H10N4O3/c1-17-7-4-2-6(3-5-7)11-12-8-9(15)13-14-10(8)16/h2-5H,1H3,(H3,13,14,15,16)/b12-11+
InChIKeyMLGXPCYJIRRSRI-VAWYXSNFSA-N
MW234.22 g/mol
LogP1.83
Rot. Bonds3

About 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one

5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one (PubChem CID 135709862) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
PubChem CID135709862
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(O)[nH][nH]c2=O)cc1
InChIInChI=1S/C10H10N4O3/c1-17-7-4-2-6(3-5-7)11-12-8-9(15)13-14-10(8)16/h2-5H,1H3,(H3,13,14,15,16)/b12-11+
InChIKeyMLGXPCYJIRRSRI-VAWYXSNFSA-N
XLogP1.83
TPSA102.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.83
H-Bond Donors ≤ 53
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

5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135976629
3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol
CID 136695317
4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one
CID 135976643
5-[(4-ethoxyphenyl)diazenyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 920944
(4-methoxyphenyl)-methyldiazene
CID 20589170
7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
CID 135456776
4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 968539
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
methyl 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoate
CID 939169
3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-5,5-dimethylcyclohex-2-en-1-one
CID 135444406
6-hydroxy-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 766619
5-methyl-4-[[4-[[4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]phenyl]methyl]phenyl]diazenyl]-1,2-dihydropyrazol-3-one
CID 135406161

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one (CID 135709862) is 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one is COc1ccc(/N=N/c2c(O)[nH][nH]c2=O)cc1.
What is the InChIKey of 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is MLGXPCYJIRRSRI-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-7-4-2-6(3-5-7)11-12-8-9(15)13-14-10(8)16/h2-5H,1H3,(H3,13,14,15,16)/b12-11+.
What are the key properties of 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 234.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135709862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).