5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
Basic information
- CAS
356564-60-8- Standard SMILES
Cc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1- InChIKey
YTOIGQDIJSVMTD-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0981898
Names & identifiers
- Preferred name
- 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
- IUPAC
- 5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
Names & synonyms
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamideMLS000687664CHEMBL1329344DTXSID601321776HMS2729N185-chloro-3-methyl-N-(3-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamideAKOS000576393356564-60-8SMR000283419ST50009920SR-01000403949SR-01000403949-1
Show more names
Z27790090(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(3-methylphenyl)carboxamide
Database identifiers
- CAS
356564-60-8- PubChem CID
- 3132709
- DTXSID
DTXSID601321776- ChEMBL
CHEMBL1329344- Nikkaji
- J3.549.269K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
Solubility12 [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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