3H-Pyrazol-3-one, 1,2-dihydro-1-(2-hydroxy-3-(propylamino)propyl)-5-methyl-4-(1-oxo-3-phenylpropyl)-2-phenyl-
Basic information
- CAS
214603-84-6- Standard SMILES
CCCNCC(O)Cn1c(C)c(C(=O)CCc2ccccc2)c(=O)n1-c1ccccc1- InChIKey
MVBHWZHXSXDVEV-UHFFFAOYSA-N- Molecular formula
- C25H31N3O3
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.23654186
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 1,2-dihydro-1-(2-hydroxy-3-(propylamino)propyl)-5-methyl-4-(1-oxo-3-phenylpropyl)-2-phenyl-
- IUPAC
- 1-[2-hydroxy-3-(propylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one
Names & synonyms
214603-84-63H-Pyrazol-3-one, 1,2-dihydro-1-(2-hydroxy-3-(propylamino)propyl)-5-methyl-4-(1-oxo-3-phenylpropyl)-2-phenyl-RefChem:283225CHEMBL3406481-(2-Hydroxy-3-(propylamino)propyl)-5-methyl-2-phenyl-4-(3-phenylpropanoyl)-1,2-dihydro-3H-pyrazol-3-one1-[2-Hydroxy-3-(propylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)-1,2-dihydro-3H-pyrazol-3-oneDTXSID50944061BDBM500671251-(2-Hydroxy-3-propylamino-propyl)-5-methyl-2-phenyl-4-(3-phenyl-propionyl)-1,2-dihydro-pyrazol-3-one
Database identifiers
- CAS
214603-84-6- PubChem CID
- 154172
- DTXSID
DTXSID50944061- ChEMBL
CHEMBL340648- Nikkaji
- J1.030.379F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…