2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one

C19H15N5O — CID 135850737

IUPAC2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2cccc3ccccc23)c[nH]n1Nc1ccccc1
InChIInChI=1S/C19H15N5O/c25-19-18(13-20-24(19)23-15-9-2-1-3-10-15)22-21-17-12-6-8-14-7-4-5-11-16(14)17/h1-13,20,23H/b22-21+
InChIKeyBQJNUCGYVKJBBV-QURGRASLSA-N
MW329.36 g/mol
LogP4.62
Rot. Bonds4

About 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one

2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one (PubChem CID 135850737) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one
PubChem CID135850737
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2cccc3ccccc23)c[nH]n1Nc1ccccc1
InChIInChI=1S/C19H15N5O/c25-19-18(13-20-24(19)23-15-9-2-1-3-10-15)22-21-17-12-6-8-14-7-4-5-11-16(14)17/h1-13,20,23H/b22-21+
InChIKeyBQJNUCGYVKJBBV-QURGRASLSA-N
XLogP4.62
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.62
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 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one (CID 135850737) is 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one is O=c1c(/N=N/c2cccc3ccccc23)c[nH]n1Nc1ccccc1.
What is the InChIKey of 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one?
The InChIKey is BQJNUCGYVKJBBV-QURGRASLSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19-18(13-20-24(19)23-15-9-2-1-3-10-15)22-21-17-12-6-8-14-7-4-5-11-16(14)17/h1-13,20,23H/b22-21+.
What are the key properties of 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one?
2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one has a molecular weight of 329.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 135850737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).