5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one

C10H9Cl2N5O — CID 1494891

IUPAC5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(N)c(/N=N/c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C10H9Cl2N5O/c1-17-10(18)8(9(13)16-17)15-14-6-4-2-3-5(11)7(6)12/h2-4,16H,13H2,1H3/b15-14+
InChIKeyMCFNFHFIONYPRC-CCEZHUSRSA-N
MW286.12 g/mol
LogP3.02
Rot. Bonds2

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

5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one (PubChem CID 1494891) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
PubChem CID1494891
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC Name5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(N)c(/N=N/c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C10H9Cl2N5O/c1-17-10(18)8(9(13)16-17)15-14-6-4-2-3-5(11)7(6)12/h2-4,16H,13H2,1H3/b15-14+
InChIKeyMCFNFHFIONYPRC-CCEZHUSRSA-N
XLogP3.02
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one (CID 1494891) is 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(N)c(/N=N/c2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
The InChIKey is MCFNFHFIONYPRC-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c1-17-10(18)8(9(13)16-17)15-14-6-4-2-3-5(11)7(6)12/h2-4,16H,13H2,1H3/b15-14+.
What are the key properties of 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one?
5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one has a molecular weight of 286.12 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 1494891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).