Basic information
- CAS
925663-04-3- Standard SMILES
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N- InChIKey
PCYFSKARZNSSAM-UHFFFAOYSA-N- Molecular formula
- C12H13ClFN3
- Average molar mass
- 253.7 g/mol
- Monoisotopic mass
- 253.0782033
Names & identifiers
- Preferred name
- 1-(2-chloro-4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
- English name
- 1-(2-CHLORO-4-FLUORO-BENZYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YLAMINE
- Molecular formula
- C12H13ClFN3
- Molecular weight
- 253.7
Names & synonyms
1-(2-chloro-4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine925663-04-31-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1h-pyrazol-4-amineMFCD049672801-(2-Chloro-4-fluoro-benzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-amineALBB-002155BBL037351SBB021259STK312446AKOS000220356
Show more names
AKOS B016089ART-CHEM-BB B0160891H-Pyrazol-4-amine, 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-
VS-14087CS-0240551EN300-228979H219791-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-ylamine
Database identifiers
- CAS
925663-04-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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