N-(2-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
Basic information
- CAS
6668-16-2- Standard SMILES
Cc1cc(C)n(C(=O)CCC(=O)Nc2ccccc2Cl)n1- InChIKey
NJYQRIHJNFRPIX-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3O2
- Average molar mass
- 305.76 g/mol
- Monoisotopic mass
- 305.0931045
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
- IUPAC
- N-(2-chlorophenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide
Names & synonyms
N-(2-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamideNJYQRIHJNFRPIX-UHFFFAOYSA-NN-(2-chlorophenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamideOprea1_094779Oprea1_285268DTXSID90985256STK002462AKOS001175577ST040870AN-329/40718905SR-01000240762SR-01000240762-1
Show more names
4-(3,5-dimethylpyrazolyl)-N-(2-chlorophenyl)-4-oxobutanamide1H-Pyrazole-1-butanamide, N-(2-chlorophenyl)-3,5-dimethyl-.gamma.-oxo-N-(2-Chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanimidic acid
Database identifiers
- CAS
6668-16-2- PubChem CID
- 730735
- DTXSID
DTXSID90985256
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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