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

C11H13N5O2 — CID 1494896

IUPAC5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
SMILESCc1ccc(O)c(/N=N/c2c(N)[nH]n(C)c2=O)c1
InChIInChI=1S/C11H13N5O2/c1-6-3-4-8(17)7(5-6)13-14-9-10(12)15-16(2)11(9)18/h3-5,15,17H,12H2,1-2H3/b14-13+
InChIKeyVUEQPSYVQBLRTM-BUHFOSPRSA-N
MW247.26 g/mol
LogP1.73
Rot. Bonds2

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

5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one (PubChem CID 1494896) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
PubChem CID1494896
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
SMILESCc1ccc(O)c(/N=N/c2c(N)[nH]n(C)c2=O)c1
InChIInChI=1S/C11H13N5O2/c1-6-3-4-8(17)7(5-6)13-14-9-10(12)15-16(2)11(9)18/h3-5,15,17H,12H2,1-2H3/b14-13+
InChIKeyVUEQPSYVQBLRTM-BUHFOSPRSA-N
XLogP1.73
TPSA108.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one (CID 1494896) is 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one is Cc1ccc(O)c(/N=N/c2c(N)[nH]n(C)c2=O)c1.
What is the InChIKey of 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
The InChIKey is VUEQPSYVQBLRTM-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-3-4-8(17)7(5-6)13-14-9-10(12)15-16(2)11(9)18/h3-5,15,17H,12H2,1-2H3/b14-13+.
What are the key properties of 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one has a molecular weight of 247.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 1494896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).