3-(2,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
956611-49-7- Standard SMILES
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)c(OC)c1- InChIKey
CGYPKWJUOUPNND-UHFFFAOYSA-N- Molecular formula
- C18H16N2O4
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.111007
Names & identifiers
- Preferred name
- 3-(2,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
Names & synonyms
3-(2,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid956611-49-73-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylic acid3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic AcidAKOS000118606CCG-278374CS-0231180EN300-10731G37216Z563475583-(2,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
956611-49-7- PubChem CID
- 3482019
- EC Number
- 193-617-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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