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

C10H9ClN4O — CID 580840

IUPAC4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C10H9ClN4O/c1-6-9(10(16)15-12-6)14-13-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,15,16)/b14-13+
InChIKeyHKLNITPOCBNQOD-BUHFOSPRSA-N
MW236.66 g/mol
LogP3.08
Rot. Bonds2

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

4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 580840) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID580840
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C10H9ClN4O/c1-6-9(10(16)15-12-6)14-13-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,15,16)/b14-13+
InChIKeyHKLNITPOCBNQOD-BUHFOSPRSA-N
XLogP3.08
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 53.08
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-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 580840) is 4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is HKLNITPOCBNQOD-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-9(10(16)15-12-6)14-13-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,15,16)/b14-13+.
What are the key properties of 4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[(2-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 236.66 g/mol, XLogP of 3.08, 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]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 580840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).