Basic information
- CAS
899379-10-3- Standard SMILES
Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccccc3)cnn12- InChIKey
MZVFVJUBPJSNFJ-UHFFFAOYSA-N- Molecular formula
- C18H13ClN4
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.0828741
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
- IUPAC
- 6-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Names & synonyms
6-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine899379-10-3MLS001216131CHEMBL1419219DTXSID501324072HMS2857D17HMS3432H06STK345899STL320545AKOS001779893AKOS022133573CCG-124390
Show more names
SMR0005445166-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-imine
Database identifiers
- CAS
899379-10-3- PubChem CID
- 7708945
- DTXSID
DTXSID501324072- ChEMBL
CHEMBL1419219
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Solubility0.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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