3H-Pyrazol-3-one,2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-
Basic information
- CAS
13051-07-5- Standard SMILES
COc1ccc(C2C(=O)NN=C2C)cc1- InChIKey
ZCCMCFZSUJKOBY-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one,2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-
- IUPAC
- 4-(4-methoxyphenyl)-3-methyl-1,4-dihydropyrazol-5-one
Names & synonyms
13051-07-5MLS0027041894-(4-Methoxyphenyl)-3-methyl-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one,2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-NSC109893CHEMBL1869474NSC-109893SMR001570895DS-014228
Database identifiers
- CAS
13051-07-5- PubChem CID
- 269241
- ChEMBL
CHEMBL1869474
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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