4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one

C10H8Cl2N4O — CID 968537

IUPAC4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N4O/c1-5-9(10(17)16-13-5)15-14-8-3-6(11)2-7(12)4-8/h2-4H,1H3,(H2,13,16,17)/b15-14+
InChIKeyODGHDPUNXHCIRD-CCEZHUSRSA-N
MW271.11 g/mol
LogP3.73
Rot. Bonds2

About 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one

4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 968537) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID968537
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N4O/c1-5-9(10(17)16-13-5)15-14-8-3-6(11)2-7(12)4-8/h2-4H,1H3,(H2,13,16,17)/b15-14+
InChIKeyODGHDPUNXHCIRD-CCEZHUSRSA-N
XLogP3.73
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 53.73
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-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 968537) is 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1/N=N/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is ODGHDPUNXHCIRD-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c1-5-9(10(17)16-13-5)15-14-8-3-6(11)2-7(12)4-8/h2-4H,1H3,(H2,13,16,17)/b15-14+.
What are the key properties of 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 271.11 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 968537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).