Basic information
- CAS
1025561-80-1- Standard SMILES
CC(=O)Nc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1- InChIKey
MYOBZJXKSSIVHD-UHFFFAOYSA-N- Molecular formula
- C22H23N3O2
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.17902698
Names & identifiers
- Preferred name
- N-[4-[(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide
- IUPAC
- N-[4-[(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide
- English name
- N-(4-((3-(TERT-BUTYL)-5-OXO-1-PHENYL-2-PYRAZOLIN-4-YLIDENE)METHYL)PHENYL)ETHANAMIDE
- Molecular formula
- C22H23N3O2
- Molecular weight
- 361.44
Names & synonyms
1025561-80-1ARB56180N-[4-[(3-tert-butyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]acetamideN-[4-[(~{Z})-(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamideN-(4-((3-(TERT-BUTYL)-5-OXO-1-PHENYL-2-PYRAZOLIN-4-YLIDENE)METHYL)PHENYL)ETHANAMIDEN-(4-{[(4Z)-3-tert-butyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl)acetamideAcetamide, N-[4-[[3-(1,1-dimethylethyl)-1,5-dihydro-5-oxo-1-phenyl-4H-pyrazol-4-ylidene]methyl]phenyl]-
Database identifiers
- CAS
1025561-80-1- PubChem CID
- 4438988
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 630
Physicochemical properties
- Density
- 1.138 · 1.138±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.567 · 14.567±0.70(predicted)
Chemistry & industry
Suppliers6 total
Carbone Scientific CO., LTD[email protected]
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…