1-[[3,5-Bis(4-fluorophenyl)-4-methyl-1H-pyrazol-1-yl]methyl]-4-chloro-3,5-dimethyl-1H-pyrazole
Basic information
- CAS
1006336-82-8- Standard SMILES
Cc1nn(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)c(C)c1Cl- InChIKey
TTZCRVSLVIWAOE-UHFFFAOYSA-N- Molecular formula
- C22H19ClF2N4
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1266306
Names & identifiers
- Preferred name
- 1-[[3,5-Bis(4-fluorophenyl)-4-methyl-1H-pyrazol-1-yl]methyl]-4-chloro-3,5-dimethyl-1H-pyrazole
- IUPAC
- 1-[[3,5-bis(4-fluorophenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
Names & synonyms
1-[(4-CHLORO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-3,5-BIS(4-FLUOROPHENYL)-4-METHYL-1H-PYRAZOLE1-[[3,5-Bis(4-fluorophenyl)-4-methyl-1H-pyrazol-1-yl]methyl]-4-chloro-3,5-dimethyl-1H-pyrazole1-{[3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}-4-chloro-3,5-dimethyl-1H-pyrazoleDTXSID001117858STL413917AKOS0039777471006336-82-8
Database identifiers
- CAS
1006336-82-8- PubChem CID
- 19587166
- DTXSID
DTXSID001117858
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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