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

C10H9ClN4O — CID 580841

IUPAC4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c1-6-9(10(16)15-12-6)14-13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,15,16)/b14-13+
InChIKeyMMQOLYRBIMAWCR-BUHFOSPRSA-N
MW236.66 g/mol
LogP3.08
Rot. Bonds2

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

4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 580841) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID580841
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c1-6-9(10(16)15-12-6)14-13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,15,16)/b14-13+
InChIKeyMMQOLYRBIMAWCR-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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Related Compounds

4-[(2-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580840
4-Phenylhydrazono-3-methyl-2-pyrazolin-5-one
CID 318025
Pyrazole-4,5(1H)-dione, 3-phenyl-, 4-(4-chlorophenylhydrazone)
CID 626873
5-[(4-chloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601102
4-[2-(4-Bromo-3-chlorophenyl)hydrazinyl]-5-methylpyrazol-3-one
CID 681349
(Z)-4-(2-(2-chlorophenyl)hydrazono)-3-phenyl-1H-pyrazol-5(4H)-one
CID 135976617
(Z)-4-(2-(3-chlorophenyl)hydrazono)-3-phenyl-1H-pyrazol-5(4H)-one
CID 135976620
4-[(4-fluorophenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 703801
(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one
CID 748661
1-(4-chlorophenyl)-3-propyl-1H-pyrazol-5-ol
CID 16422931
1H-pyrazole-4,5-dione 4-[N-(2-chlorophenyl)hydrazone]
CID 1475221
5-amino-4-[(3-chlorophenyl)diazenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 1500675

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 580841) is 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is MMQOLYRBIMAWCR-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-9(10(16)15-12-6)14-13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,15,16)/b14-13+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[(4-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-[(4-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 580841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).