Basic information
- CAS
51944-15-1- Standard SMILES
Cc1c(NC(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C- InChIKey
MHDYKXPQKDDFFZ-UHFFFAOYSA-N- Molecular formula
- C18H18N4O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.14297583
Names & identifiers
- Preferred name
- 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylurea
- IUPAC
- 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea
Names & synonyms
51944-15-11-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylureaCHEMBL386527N-(1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-phenylureaN-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-phenylureaOprea1_001438Oprea1_638219MLS001181783SCHEMBL144284411-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylureaDTXSID401031486HMS2850G19
Show more names
BDBM50186964STL3842043-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-phenylureaAKOS000524932CCG-109855SMR000567518CL-281092EU-0009283
Database identifiers
- CAS
51944-15-1- PubChem CID
- 735751
- DTXSID
DTXSID401031486- ChEMBL
CHEMBL386527- Nikkaji
- J1.701.231B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Experimental & physicochemical properties
Solubility47.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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