1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethylthiourea
Basic information
- CAS
51944-24-2- Standard SMILES
CCNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
PHOKXAUOZZNRJI-UHFFFAOYSA-N- Molecular formula
- C14H18N4OS
- Average molar mass
- 290.39 g/mol
- Monoisotopic mass
- 290.12013238
Names & identifiers
- Preferred name
- 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethylthiourea
- IUPAC
- 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethylthiourea
Names & synonyms
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethylthiourea51944-24-2ZINC6763432N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-ethylthioureaTimTec1_007039Oprea1_039466MLS000709063CHEMBL1890505DTXSID201323601HMS1553P21HMS2670H05HTS12799
Show more names
MFCD00613776STK000594ZINC06763432AKOS000583597AKOS002346947SDCCGMLS-0064992.P001SMR000282930CCNC(=S)Nc1c(C)n(n(c1=O)c1ccccc1)C
Database identifiers
- CAS
51944-24-2- PubChem CID
- 754098
- DTXSID
DTXSID201323601- ChEMBL
CHEMBL1890505
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Solubility40.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…