Basic information
- CAS
30957-61-0- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(N=NC2C(=O)N(c3ccccc3)N=C2C)cc1- InChIKey
VQNFPDIMAQDQNF-UHFFFAOYSA-N- Molecular formula
- C23H27N5O3
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.21138974
Names & identifiers
- Preferred name
- p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acid 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Names & synonyms
p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acid 2-(diethylamino)ethyl ester30957-61-0BRN 0902557Benzoic acid, p-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)-, 2-(diethylamino)ethyl esterDTXSID401384249
Database identifiers
- CAS
30957-61-0- PubChem CID
- 35696
- DTXSID
DTXSID401384249- Nikkaji
- J83.461K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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