Basic information
- CAS
1003988-52-0- Standard SMILES
Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1- InChIKey
YNFHGUPPMLNDRH-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2
- Average molar mass
- 268.74 g/mol
- Monoisotopic mass
- 268.0767261
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-4-methyl-3-phenylpyrazole
- IUPAC
- 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
Names & synonyms
1-(4-chlorophenyl)-4-methyl-3-phenylpyrazoleAKOS024274784ST0075241-(4-CHLORO-PHENYL)-4-METHYL-3-PHENYL-1H-PYRAZOLE
Database identifiers
- CAS
1003988-52-0- PubChem CID
- 683196
- EC Number
- 159-531-2
- Nikkaji
- J3.001.055H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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