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

C9H7ClN4O — CID 1475221

IUPAC4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1/N=N/c1ccccc1Cl
InChIInChI=1S/C9H7ClN4O/c10-6-3-1-2-4-7(6)12-13-8-5-11-14-9(8)15/h1-5H,(H2,11,14,15)/b13-12+
InChIKeyFQUGFWPFTMCUQS-OUKQBFOZSA-N
MW222.64 g/mol
LogP2.77
Rot. Bonds2

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

4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one (PubChem CID 1475221) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
PubChem CID1475221
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1/N=N/c1ccccc1Cl
InChIInChI=1S/C9H7ClN4O/c10-6-3-1-2-4-7(6)12-13-8-5-11-14-9(8)15/h1-5H,(H2,11,14,15)/b13-12+
InChIKeyFQUGFWPFTMCUQS-OUKQBFOZSA-N
XLogP2.77
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 52.77
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
(Z)-4-(2-(2-chlorophenyl)hydrazono)-3-phenyl-1H-pyrazol-5(4H)-one
CID 135976617
4-[(2-chloroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one
CID 3839690
5-amino-4-[(3-chlorophenyl)diazenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 1500675
(Z)-4-(2-(2-chlorophenyl)hydrazono)-3-isopropyl-1H-pyrazol-5(4H)-one
CID 135976613
N'-(2-Chlorophenyl)acetohydrazide
CID 289385
4-[2-(2,4-Dichlorophenyl)hydrazono]-5-(trifluoromethyl)-2H-pyrazole-3(4H)-one
CID 136324112
4-(2'-Chlorophenylazo)-3,5-pyrazolidinedione
CID 129872227
4-{[(2-Chlorophenyl)amino]azamethylene}-3-(trifluoromethyl)-1,2-diazolin-5-one
CID 4326433
3-(trifluoromethyl)-1H-pyrazole-4,5-dione 4-[(2,5-dichlorophenyl)hydrazone]
CID 4683577
3-(Trifluoromethyl)-4-[2-(4-chlorophenyl)hydrazono]-2-pyrazoline-5-one
CID 5213084

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one (CID 1475221) is 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one is O=c1[nH][nH]cc1/N=N/c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is FQUGFWPFTMCUQS-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-6-3-1-2-4-7(6)12-13-8-5-11-14-9(8)15/h1-5H,(H2,11,14,15)/b13-12+.
What are the key properties of 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 222.64 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 1475221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).