4-bromo-N-{3-[(3,5-dimethylphenoxy)methyl]phenyl}-1-ethyl-1H-pyrazole-5-carboxamide
Basic information
- CAS
1005576-59-9- Standard SMILES
CCn1ncc(Br)c1C(=O)Nc1cccc(COc2cc(C)cc(C)c2)c1- InChIKey
PCDMCHWLRMMTQL-UHFFFAOYSA-N- Molecular formula
- C21H22BrN3O2
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 427.08954
Names & identifiers
- Preferred name
- 4-bromo-N-{3-[(3,5-dimethylphenoxy)methyl]phenyl}-1-ethyl-1H-pyrazole-5-carboxamide
- IUPAC
- 4-bromo-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-1-ethylpyrazole-5-carboxamide
Names & synonyms
4-bromo-N-{3-[(3,5-dimethylphenoxy)methyl]phenyl}-1-ethyl-1H-pyrazole-5-carboxamide4-Bromo-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-1-ethyl-1H-pyrazole-5-carboxamideDTXSID001129548STL392713AKOS0039837051005576-59-9
Database identifiers
- CAS
1005576-59-9- PubChem CID
- 4765634
- DTXSID
DTXSID001129548
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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