5-amino-4-[(3-methoxyphenyl)diazenyl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
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Basic information
- CAS
791825-13-3- Standard SMILES
COc1cccc(N=Nc2c(N)n(-c3ccccc3)[nH]c2=O)c1- InChIKey
JVELLLRARVTPTA-UHFFFAOYSA-N- Molecular formula
- C16H15N5O2
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.12257474
Names & identifiers
- Preferred name
- 5-amino-4-[(3-methoxyphenyl)diazenyl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
- English name
- 5-amino-4-[(3-methoxyphenyl)diazenyl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
- Molecular formula
- C16H15N5O2
- Molecular weight
- 309.32
Names & synonyms
5-amino-4-[(3-methoxyphenyl)diazenyl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-oneAO-476/432500203-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one(4Z)-5-imino-4-[(3-methoxyphenyl)hydrazinylidene]-1-phenylpyrazolidin-3-one
Database identifiers
- CAS
791825-13-3- PubChem CID
- 135431486
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Density
- 1.349 · 1.349±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.165 · 6.165±0.70(predicted)
Related reactions
0 records
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Compound notes
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