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

C15H11ClN4O — CID 135976620

IUPAC4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-11-7-4-8-12(9-11)17-19-14-13(18-20-15(14)21)10-5-2-1-3-6-10/h1-9H,(H2,18,20,21)/b19-17+
InChIKeyVQGDKRYDTRDJGT-HTXNQAPBSA-N
MW298.73 g/mol
LogP4.44
Rot. Bonds3

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

4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 135976620) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one
PubChem CID135976620
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-11-7-4-8-12(9-11)17-19-14-13(18-20-15(14)21)10-5-2-1-3-6-10/h1-9H,(H2,18,20,21)/b19-17+
InChIKeyVQGDKRYDTRDJGT-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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Related Compounds

4-[(2-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580840
4-[(4-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580841
Pyrazole-4,5(1H)-dione, 3-phenyl-, 4-(4-chlorophenylhydrazone)
CID 626873
Vegfr-2-IN-32
CID 135686834
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide
CID 2517818
4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 3746805
(Z)-4-(2-(2-chlorophenyl)hydrazono)-3-phenyl-1H-pyrazol-5(4H)-one
CID 135976617
4-[(E)-(3-chlorophenyl)azo]-3-(4-fluorophenyl)-5-hydroxy-pyrazole-1-carboxamide
CID 136246726
5-amino-4-[(3-chlorophenyl)diazenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 1500675
4-[(3-chlorophenyl)hydrazono]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 1011186
1-(4-chlorophenyl)-3-phenyl-1H-pyrazol-5-ol
CID 11616007
(Z)-4-(2-(2-chlorophenyl)hydrazono)-3-isopropyl-1H-pyrazol-5(4H)-one
CID 135976613

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one (CID 135976620) is 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2ccccc2)c1/N=N/c1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is VQGDKRYDTRDJGT-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-7-4-8-12(9-11)17-19-14-13(18-20-15(14)21)10-5-2-1-3-6-10/h1-9H,(H2,18,20,21)/b19-17+.
What are the key properties of 4-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one?
4-[(3-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-[(3-chlorophenyl)diazenyl]-5-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).