Basic information
- CAS
956544-17-5- Standard SMILES
Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3)cc2)n1- InChIKey
VQBNQZQADKAYEJ-UHFFFAOYSA-N- Molecular formula
- C19H19N3O
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.15281224
Names & identifiers
- Preferred name
- N-benzyl-4-(3,5-dimethylpyrazol-1-yl)benzamide
- IUPAC
- N-benzyl-4-(3,5-dimethylpyrazol-1-yl)benzamide
Names & synonyms
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)benzamideMLS000772126CHEMBL1415824REGID_for_CID_2598144DTXSID101330681HMS1750G19HMS2675N11AKOS002735604956544-17-5SMR000376751N-benzyl-4-(3,5-dimethyl-1H-pyrazol-1-yl)benzamideZ27749305
Database identifiers
- CAS
956544-17-5- PubChem CID
- 2598144
- DTXSID
DTXSID101330681- ChEMBL
CHEMBL1415824
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Solubility44.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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