4-((1E)-2-indol-2-yl-1-azavinyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Basic information
- CAS
329935-94-6- Standard SMILES
Cc1c(N=Cc2cc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C- InChIKey
CWXBEXSJBIWFIF-UHFFFAOYSA-N- Molecular formula
- C20H18N4O
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.14806121
Names & identifiers
- Preferred name
- 4-((1E)-2-indol-2-yl-1-azavinyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
- IUPAC
- 4-(1H-indol-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- 4-((1H-Indol-2-ylmethylene)-amino)-1,5-dimethyl-2-Ph-1,2-dihydro-pyrazol-3-one
- Molecular formula
- C20H18N4O
- Molecular weight
- 330.38
Names & synonyms
4-((1E)-2-indol-2-yl-1-azavinyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-oneOprea1_398078AKOS024275150ST0103044-((1H-INDOL-2-YLMETHYLENE)-AMINO)-1,5-DIMETHYL-2-PH-1,2-DIHYDRO-PYRAZOL-3-ONE3H-Pyrazol-3-one, 1,2-dihydro-4-[(1H-indol-2-ylmethylene)amino]-1,5-dimethyl-2-phenyl-
Database identifiers
- CAS
329935-94-6- PubChem CID
- 710124
- EC Number
- 167-462-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 522.867 · 522.867±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.237 · 1.237±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.14 · 15.140±0.30(predicted)
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Compound notes
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