Basic information
- CAS
302560-93-6- Standard SMILES
COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1- InChIKey
QPYKRCIQRBMWRK-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O2
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.0931045
Names & identifiers
- Preferred name
- 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
- IUPAC
- 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
Names & synonyms
5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide302560-93-6MLS001202912CHEMBL1568828DTXSID401325760HMS2849N11STL333904AKOS000669891SMR000513869EU-00013895-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (4-methoxy-phenyl)-amide
Database identifiers
- CAS
302560-93-6- PubChem CID
- 679804
- DTXSID
DTXSID401325760- ChEMBL
CHEMBL1568828
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Solubility1.8 [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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