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

C10H11N5O — CID 1494897

IUPAC5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESCn1[nH]c(N)c(/N=N/c2ccccc2)c1=O
InChIInChI=1S/C10H11N5O/c1-15-10(16)8(9(11)14-15)13-12-7-5-3-2-4-6-7/h2-6,14H,11H2,1H3/b13-12+
InChIKeyHARBDGBKZWGMFR-OUKQBFOZSA-N
MW217.23 g/mol
LogP1.71
Rot. Bonds2

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

5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one (PubChem CID 1494897) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
PubChem CID1494897
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESCn1[nH]c(N)c(/N=N/c2ccccc2)c1=O
InChIInChI=1S/C10H11N5O/c1-15-10(16)8(9(11)14-15)13-12-7-5-3-2-4-6-7/h2-6,14H,11H2,1H3/b13-12+
InChIKeyHARBDGBKZWGMFR-OUKQBFOZSA-N
XLogP1.71
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The IUPAC name of 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one (CID 1494897) is 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one is Cn1[nH]c(N)c(/N=N/c2ccccc2)c1=O.
What is the InChIKey of 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The InChIKey is HARBDGBKZWGMFR-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-10(16)8(9(11)14-15)13-12-7-5-3-2-4-6-7/h2-6,14H,11H2,1H3/b13-12+.
What are the key properties of 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one has a molecular weight of 217.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one is sourced from PubChem (CID 1494897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).