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

C20H16N4O — CID 3107529

IUPAC5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C20H16N4O/c1-14-19(20(25)24(23-14)16-10-3-2-4-11-16)22-21-18-13-7-9-15-8-5-6-12-17(15)18/h2-13,23H,1H3/b22-21+
InChIKeyUWXRSFSHVJTDOA-QURGRASLSA-N
MW328.38 g/mol
LogP5.04
Rot. Bonds3

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

5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 3107529) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID3107529
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C20H16N4O/c1-14-19(20(25)24(23-14)16-10-3-2-4-11-16)22-21-18-13-7-9-15-8-5-6-12-17(15)18/h2-13,23H,1H3/b22-21+
InChIKeyUWXRSFSHVJTDOA-QURGRASLSA-N
XLogP5.04
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one (CID 3107529) is 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc2ccccc12.
What is the InChIKey of 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is UWXRSFSHVJTDOA-QURGRASLSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-19(20(25)24(23-14)16-10-3-2-4-11-16)22-21-18-13-7-9-15-8-5-6-12-17(15)18/h2-13,23H,1H3/b22-21+.
What are the key properties of 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 328.38 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 3107529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).