5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
926257-56-9- Standard SMILES
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C(=O)O- InChIKey
WAXFXNZSSJFCGG-UHFFFAOYSA-N- Molecular formula
- C12H9Cl3N2O2
- Average molar mass
- 319.6 g/mol
- Monoisotopic mass
- 317.972961
Names & identifiers
- Preferred name
- 5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
Names & synonyms
926257-56-95-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acidMLS000776656CHEMBL1365024DTXSID101331146HMS2688C235-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylic AcidAKOS000116968SMR000371901CS-0221223EN300-08629
Show more names
AB00609114-02SR-01000050446SR-01000050446-1Z569688015-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
926257-56-9- PubChem CID
- 2113290
- DTXSID
DTXSID101331146- ChEMBL
CHEMBL1365024
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Solubility29.6 [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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