Basic information
- CAS
13051-08-6- Standard SMILES
COc1ccc(C2(Br)C(=O)NN=C2C)cc1- InChIKey
RIRWDRQBCOEXEC-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O2
- Average molar mass
- 283.12 g/mol
- Monoisotopic mass
- 282.00039
Names & identifiers
- Preferred name
- 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
Names & synonyms
13051-08-64-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one4-bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-oneNSC109914NSC 1099144-Bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one, 4-bromo-2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-DTXSID609268983H-Pyrazol-3-one,4-bromo-2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-NSC-109914130778-21-1DS-004863
Show more names
4-Bromo-4-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-ol
Database identifiers
- CAS
13051-08-6、130778-21-1- PubChem CID
- 269258
- DTXSID
DTXSID60926898
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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