4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one

C15H11ClN4O2 — CID 137184042

IUPAC4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2)c(O)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O2/c16-10-5-4-6-11(9-10)17-18-13-14(21)19-20(15(13)22)12-7-2-1-3-8-12/h1-9,22H,(H,19,21)/b18-17+
InChIKeyPXMRXPIBIAOSRC-ISLYRVAYSA-N
MW314.73 g/mol
LogP3.94
Rot. Bonds3

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

4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one (PubChem CID 137184042) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
PubChem CID137184042
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2)c(O)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O2/c16-10-5-4-6-11(9-10)17-18-13-14(21)19-20(15(13)22)12-7-2-1-3-8-12/h1-9,22H,(H,19,21)/b18-17+
InChIKeyPXMRXPIBIAOSRC-ISLYRVAYSA-N
XLogP3.94
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.94
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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Related Compounds

3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135431486
2-(2-chlorophenyl)-4-[(3-chlorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
CID 135981142
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320
4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one
CID 135976643
6-chloro-1-phenyl-2H-indazol-3-one
CID 16638458
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
3-[[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 135645862
4-[(3-chlorophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 5220984
trimethyl-[3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]azanium
CID 135800784
[9-[(3-chlorophenyl)diazenyl]-10-hydroxy-7H-pyrrolo[1,2-a]perimidin-8-yl]-phenylmethanone
CID 139224431
3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one
CID 139048699

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one (CID 137184042) is 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one is O=c1[nH]n(-c2ccccc2)c(O)c1/N=N/c1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one?
The InChIKey is PXMRXPIBIAOSRC-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-10-5-4-6-11(9-10)17-18-13-14(21)19-20(15(13)22)12-7-2-1-3-8-12/h1-9,22H,(H,19,21)/b18-17+.
What are the key properties of 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one?
4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one has a molecular weight of 314.73 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 137184042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).