Basic information
- CAS
1175962-11-4- Standard SMILES
CC(=O)c1cccc(NC(=O)/C=C/c2cnn(Cc3ccccc3)c2)c1- InChIKey
XQLGANYRJQBJIK-ZHACJKMWSA-N- Molecular formula
- C21H19N3O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14772686
Names & identifiers
- Preferred name
- (E)-N-(3-acetylphenyl)-3-(1-benzylpyrazol-4-yl)prop-2-enamide
- IUPAC
- (E)-N-(3-acetylphenyl)-3-(1-benzylpyrazol-4-yl)prop-2-enamide
Names & synonyms
1175962-11-4DTXSID801145485(E)-N-(3-acetylphenyl)-3-(1-benzylpyrazol-4-yl)prop-2-enamideZ108816988(2E)-N-(3-Acetylphenyl)-3-(1-benzyl-1H-pyrazol-4-yl)prop-2-enamide(2E)-N-(3-Acetylphenyl)-3-[1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenamide
Database identifiers
- CAS
1175962-11-4- PubChem CID
- 34831792
- DTXSID
DTXSID801145485
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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