5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one

C16H14N6O4 — CID 3569530

IUPAC5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
SMILESCOc1cc([N+](=O)[O-])ccc1/N=N/c1c(N)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C16H14N6O4/c1-26-13-9-11(22(24)25)7-8-12(13)18-19-14-15(17)20-21(16(14)23)10-5-3-2-4-6-10/h2-9,20H,17H2,1H3/b19-18+
InChIKeyVOPQYGRBHXFGDR-VHEBQXMUSA-N
MW354.33 g/mol
LogP3.08
Rot. Bonds5

About 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one

5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 3569530) has the molecular formula C16H14N6O4 and a molecular weight of 354.33 g/mol. Its IUPAC name is 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID3569530
Molecular FormulaC16H14N6O4
Molecular Weight354.33 g/mol
Exact Mass354.11
IUPAC Name5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
SMILESCOc1cc([N+](=O)[O-])ccc1/N=N/c1c(N)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C16H14N6O4/c1-26-13-9-11(22(24)25)7-8-12(13)18-19-14-15(17)20-21(16(14)23)10-5-3-2-4-6-10/h2-9,20H,17H2,1H3/b19-18+
InChIKeyVOPQYGRBHXFGDR-VHEBQXMUSA-N
XLogP3.08
TPSA140.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one (CID 3569530) is 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one is COc1cc([N+](=O)[O-])ccc1/N=N/c1c(N)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is VOPQYGRBHXFGDR-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N6O4/c1-26-13-9-11(22(24)25)7-8-12(13)18-19-14-15(17)20-21(16(14)23)10-5-3-2-4-6-10/h2-9,20H,17H2,1H3/b19-18+.
What are the key properties of 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one?
5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 354.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 3569530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).