2-[5-(Aminomethyl)-4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
Basic information
- Standard SMILES
COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN)CC2)ccc1Cl- InChIKey
PFECKMSFPMPGLP-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2F3N5O2
- Average molar mass
- 466.3 g/mol
Names & identifiers
- Preferred name
- 2-[5-(Aminomethyl)-4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
- IUPAC
- 2-[5-(aminomethyl)-4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
Names & synonyms
CHEMBL2322868SCHEMBL2875722PFECKMSFPMPGLP-UHFFFAOYSA-NBDBM504270852-[5-(aminomethyl)-4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
Database identifiers
- PubChem CID
- 11236656
- ChEMBL
CHEMBL2322868
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 595
Related reactions
1 records
Compound notes
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