5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one

C19H15N5O — CID 700969

IUPAC5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
SMILESNc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C19H15N5O/c20-18-17(19(25)24(23-18)14-9-2-1-3-10-14)22-21-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,23H,20H2/b22-21+
InChIKeyPFXVGVGIINYEMA-QURGRASLSA-N
MW329.36 g/mol
LogP4.32
Rot. Bonds3

About 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one

5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 700969) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID700969
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
SMILESNc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C19H15N5O/c20-18-17(19(25)24(23-18)14-9-2-1-3-10-14)22-21-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,23H,20H2/b22-21+
InChIKeyPFXVGVGIINYEMA-QURGRASLSA-N
XLogP4.32
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.32
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-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one (CID 700969) is 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one is Nc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc2ccccc12.
What is the InChIKey of 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is PFXVGVGIINYEMA-QURGRASLSA-N. The full InChI is InChI=1S/C19H15N5O/c20-18-17(19(25)24(23-18)14-9-2-1-3-10-14)22-21-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,23H,20H2/b22-21+.
What are the key properties of 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 329.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 700969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).