2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one

C10H10N4O2 — CID 174879138

IUPAC2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(O)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C10H10N4O2/c1-7-9(10(15)14(16)13-7)12-11-8-5-3-2-4-6-8/h2-6,13,16H,1H3/b12-11+
InChIKeyVYRKSJDFYAJLOV-VAWYXSNFSA-N
MW218.22 g/mol
LogP2.14
Rot. Bonds2

About 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one

2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one (PubChem CID 174879138) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
PubChem CID174879138
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(O)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C10H10N4O2/c1-7-9(10(15)14(16)13-7)12-11-8-5-3-2-4-6-8/h2-6,13,16H,1H3/b12-11+
InChIKeyVYRKSJDFYAJLOV-VAWYXSNFSA-N
XLogP2.14
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.14
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'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N'(1),N'(2)-Diphenylethanedihydrazide
CID 221850
5-Methyl-2-phenyl-2H-pyrazole-3,4-dione 4-oxime
CID 608928
4-Phenylhydrazono-3-methyl-2-pyrazolin-5-one
CID 318025
5-methyl-3-(phenyldiazenyl)pyrazolo[1,5-a]pyrimidine-2,7(1H,4H)-dione
CID 135431525
4-[(4-fluorophenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 703801
3-Amino-5-hydroxy-4-phenylazopyrazole
CID 246770
5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 135431538
5-Amino-4-[(2-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 162739681
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
CID 162739706
(4Z)-5-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
CID 612181
(4E)-5-methyl-4-[2-(2-methylphenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
CID 612182
N'~1~-Phenylethanedihydrazide
CID 307854

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The IUPAC name of 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one (CID 174879138) is 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one is Cc1[nH]n(O)c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The InChIKey is VYRKSJDFYAJLOV-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-9(10(15)14(16)13-7)12-11-8-5-3-2-4-6-8/h2-6,13,16H,1H3/b12-11+.
What are the key properties of 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one has a molecular weight of 218.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one is sourced from PubChem (CID 174879138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).