6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
Basic information
- CAS
691884-04-5- Standard SMILES
Cc1cc2ncc(-c3ccc(Cl)cc3)cn2n1- InChIKey
IDGXVJGBTGEQGI-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.056325
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
- IUPAC
- 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
Names & synonyms
6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine691884-04-5MFCD03012174MLS000720525CHEMBL1587023SCHEMBL12609820DTXSID801324071HMS2717C18AKOS005090807SMR0003360423T-08716-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine
Database identifiers
- CAS
691884-04-5- PubChem CID
- 1474423
- DTXSID
DTXSID801324071- ChEMBL
CHEMBL1587023
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
Solubility0.7 [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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