4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one

C21H15ClN4O — CID 3109320

IUPAC4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)[nH]n1-c1ccccc1
InChIInChI=1S/C21H15ClN4O/c22-16-11-13-17(14-12-16)23-24-20-19(15-7-3-1-4-8-15)25-26(21(20)27)18-9-5-2-6-10-18/h1-14,25H/b24-23+
InChIKeyRFCIVMSRZHBLNR-WCWDXBQESA-N
MW374.83 g/mol
LogP5.90
Rot. Bonds4

About 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one

4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 3109320) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID3109320
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)[nH]n1-c1ccccc1
InChIInChI=1S/C21H15ClN4O/c22-16-11-13-17(14-12-16)23-24-20-19(15-7-3-1-4-8-15)25-26(21(20)27)18-9-5-2-6-10-18/h1-14,25H/b24-23+
InChIKeyRFCIVMSRZHBLNR-WCWDXBQESA-N
XLogP5.90
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.90
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 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one (CID 3109320) is 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one is O=c1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)[nH]n1-c1ccccc1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is RFCIVMSRZHBLNR-WCWDXBQESA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-11-13-17(14-12-16)23-24-20-19(15-7-3-1-4-8-15)25-26(21(20)27)18-9-5-2-6-10-18/h1-14,25H/b24-23+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 374.83 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 3109320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).