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

C9H8ClN5O — CID 137279213

IUPAC5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C9H8ClN5O/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-15-9(7)16/h1-4H,(H4,11,14,15,16)/b13-12+
InChIKeyOQCBZGQPSXIOJI-OUKQBFOZSA-N
MW237.65 g/mol
LogP2.35
Rot. Bonds2

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

5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one (PubChem CID 137279213) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
PubChem CID137279213
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C9H8ClN5O/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-15-9(7)16/h1-4H,(H4,11,14,15,16)/b13-12+
InChIKeyOQCBZGQPSXIOJI-OUKQBFOZSA-N
XLogP2.35
TPSA99.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-amino-4-[(2,6-dichlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 1494874
6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 3650612
4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 1475221
4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one
CID 135976615
4-[(3-chloro-2-methylphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 968858
5-amino-4-[(4-bromophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 1494873
5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136677013
5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 1494891
6-amino-5-[(2-fluorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 135672517
4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine
CID 2818916
5-amino-4-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135524898
2-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 5160757

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one (CID 137279213) is 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one is Nc1[nH][nH]c(=O)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is OQCBZGQPSXIOJI-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-15-9(7)16/h1-4H,(H4,11,14,15,16)/b13-12+.
What are the key properties of 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 237.65 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 137279213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).