Basic information
- CAS
93873-05-3- Standard SMILES
Cc1cc(C)n(C(=O)N(c2ccccc2)c2ccccc2)n1- InChIKey
NNZKTBNFYOYGOG-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Names & identifiers
- Preferred name
- 3,5-dimethyl-N,N-diphenyl-1H-pyrazole-1-carboxamide
- IUPAC
- 3,5-dimethyl-N,N-diphenylpyrazole-1-carboxamide
Names & synonyms
3,5-dimethyl-N,N-diphenyl-1H-pyrazole-1-carboxamide93873-05-33,5-dimethyl-N,N-diphenylpyrazole-1-carboxamideMLS0011649383,5-dimethyl-pyrazole-1-carboxylic acid diphenylamideCHEMBL1463779DTXSID001321716HMS2867O04STK832428AKOS002243185(3,5-dimethylpyrazolyl)-N,N-dibenzamideSMR000540136
Show more names
ST50753599AP-124/40904293F1757-0422Z274555326
Database identifiers
- CAS
93873-05-3- PubChem CID
- 950557
- DTXSID
DTXSID001321716- ChEMBL
CHEMBL1463779
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility9.1 [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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