Basic information
- CAS
494745-68-5- Standard SMILES
CCn1nc(C)c(C=NNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1C- InChIKey
XEFWFPZSPGGVAZ-UHFFFAOYSA-N- Molecular formula
- C26H29N5O
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- CID 1227745
- IUPAC
- 1-benzyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide
- English name
- 1-benzyl-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-2,3-dimethyl-1H-indole-5-carbohydrazide
- Molecular formula
- C26H29N5O
- Molecular weight
- 427.54
Names & synonyms
1-benzyl-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-2,3-dimethyl-1H-indole-5-carbohydrazide
Database identifiers
- CAS
494745-68-5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Density
- 1.17 · 1.170±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.217 · 12.217±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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