Basic information
- CAS
32059-12-4- Standard SMILES
CCOC(=O)Nc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1- InChIKey
VKDKWGIVULSQSU-UHFFFAOYSA-N- Molecular formula
- C21H22N4O4
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.1641052
Names & identifiers
- Preferred name
- Carbanilic acid, 4-((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)-, ethyl ester
- IUPAC
- ethyl N-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate
Names & synonyms
4-(p-Carbethoxyaminobenzamido)antipyrineBRN 0769730Carbanilic acid, 4-((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)-, ethyl ester32059-12-4DTXSID30185874Ethyl 4-((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)carbanilate4-((2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)carbanilic acid ethyl esterRefChem:332965DTXCID70108365Ethyl {4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]phenyl}carbamate
Database identifiers
- CAS
32059-12-4- PubChem CID
- 36053
- DTXSID
DTXSID30185874- Nikkaji
- J69.440A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…