4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one

C15H11ClN4O — CID 135976617

IUPAC4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-11-8-4-5-9-12(11)17-19-14-13(18-20-15(14)21)10-6-2-1-3-7-10/h1-9H,(H2,18,20,21)/b19-17+
InChIKeyWKYWNCKMBOAMGK-HTXNQAPBSA-N
MW298.73 g/mol
LogP4.44
Rot. Bonds3

About 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one

4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 135976617) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one
PubChem CID135976617
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-11-8-4-5-9-12(11)17-19-14-13(18-20-15(14)21)10-6-2-1-3-7-10/h1-9H,(H2,18,20,21)/b19-17+
InChIKeyWKYWNCKMBOAMGK-HTXNQAPBSA-N
XLogP4.44
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one (CID 135976617) is 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2ccccc2)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is WKYWNCKMBOAMGK-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-8-4-5-9-12(11)17-19-14-13(18-20-15(14)21)10-6-2-1-3-7-10/h1-9H,(H2,18,20,21)/b19-17+.
What are the key properties of 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one has a molecular weight of 298.73 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).