Basic information
- CAS
34388-24-4- Standard SMILES
Cc1cc(C)cc(N=Nc2c(C)[nH]n(C(N)=O)c2=O)c1- InChIKey
KMGBZHTWGVCMQP-UHFFFAOYSA-N- Molecular formula
- C13H15N5O2
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.12257474
Names & identifiers
- Preferred name
- 4,5-Dioxo-3-methyl-2-pyrazoline-1-carboxamide 4-(3,5-xylylhydrazone)
- IUPAC
- 4-[(3,5-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carboxamide
- English name
- 3-Methyl-5-oxo-4-[2-(3,5-xylyl)hydrazono]-2-pyrazoline-1-carboxamide
- Molecular formula
- C13H15N5O2
- Molecular weight
- 273.29
Names & synonyms
34388-24-44,5-Dioxo-3-methyl-2-pyrazoline-1-carboxamide 4-(3,5-xylylhydrazone)2-Pyrazoline-1-carboxamide, 4,5-dioxo-3-methyl-, 4-(3,5-xylylhydrazone)3-Methyl-5-oxo-4-[2-(3,5-xylyl)hydrazono]-2-pyrazoline-1-carboxamide
Database identifiers
- CAS
34388-24-4- PubChem CID
- 214837
- Nikkaji
- J57.849E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 418.183 · 418.183±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.376 · 1.376±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.687 · 10.687±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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