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

C15H12FN5O — CID 135490307

IUPAC3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
SMILESNc1c(/N=N/c2ccccc2F)c(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C15H12FN5O/c16-11-8-4-5-9-12(11)18-19-13-14(17)21(20-15(13)22)10-6-2-1-3-7-10/h1-9H,17H2,(H,20,22)/b19-18+
InChIKeyOOIJLCGDBRLXTC-VHEBQXMUSA-N
MW297.29 g/mol
LogP3.30
Rot. Bonds3

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

3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one (PubChem CID 135490307) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
PubChem CID135490307
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
SMILESNc1c(/N=N/c2ccccc2F)c(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C15H12FN5O/c16-11-8-4-5-9-12(11)18-19-13-14(17)21(20-15(13)22)10-6-2-1-3-7-10/h1-9H,17H2,(H,20,22)/b19-18+
InChIKeyOOIJLCGDBRLXTC-VHEBQXMUSA-N
XLogP3.30
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.30
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 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one (CID 135490307) is 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one is Nc1c(/N=N/c2ccccc2F)c(=O)[nH]n1-c1ccccc1.
What is the InChIKey of 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The InChIKey is OOIJLCGDBRLXTC-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-11-8-4-5-9-12(11)18-19-13-14(17)21(20-15(13)22)10-6-2-1-3-7-10/h1-9H,17H2,(H,20,22)/b19-18+.
What are the key properties of 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one has a molecular weight of 297.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 135490307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).