Basic information
- CAS
515847-04-8- Standard SMILES
CC(=NNC(=O)c1ccn(C)n1)c1cccc(NC(=O)c2ccc(F)cc2)c1- InChIKey
IHFCMKZHTDTFAL-UHFFFAOYSA-N- Molecular formula
- C20H18FN5O2
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- N-[1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
- IUPAC
- N-[1-[3-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
- English name
- 4-fluoro-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)benzamide
- Molecular formula
- C20H18FN5O2
- Molecular weight
- 379.39
Names & synonyms
4-fluoro-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)benzamide
Database identifiers
- CAS
515847-04-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Density
- 1.289 · 1.289±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.985 · 11.985±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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