Basic information
- CAS
956387-34-1- Standard SMILES
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]- InChIKey
XIBZKMWBAMPCHZ-UHFFFAOYSA-N- Molecular formula
- C19H17FN4O4
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.1233832
Names & identifiers
- Preferred name
- N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(5-fluoro-2-nitrophenoxy)acetamide
- IUPAC
- N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(5-fluoro-2-nitrophenoxy)acetamide
Names & synonyms
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(5-fluoro-2-nitrophenoxy)acetamideMLS002249092CHEMBL1727846DTXSID001319933HMS3061G12AKOS017006310956387-34-1SMR001316541Z19072512N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-(5-fluoro-2-nitrophenoxy)acetamide
Database identifiers
- CAS
956387-34-1- PubChem CID
- 4854584
- DTXSID
DTXSID001319933- ChEMBL
CHEMBL1727846
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 555
Experimental & physicochemical properties
Solubility15.1 [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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