2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
Basic information
- CAS
5789-68-4- Standard SMILES
CCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O- InChIKey
BQGULYXQMSQQNW-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0825398
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
- IUPAC
- 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Names & synonyms
2-(4-chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-ol5789-68-42-(4-chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(4h)-one2-(4-chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-oneCBMicro_031263Cambridge id 6072545MixCom6_001567TimTec1_006586Oprea1_340971Oprea1_399626Oprea1_716464MLS001210115
Show more names
SCHEMBL3431339CHEMBL1603813SCHEMBL21775454DTXSID00973487HMS1552L08HTS125152-(4-Chloro-phenyl)-6-ethyl-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olSTK852498
Database identifiers
- CAS
5789-68-4- PubChem CID
- 761950
- DTXSID
DTXSID00973487- ChEMBL
CHEMBL1603813
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 527
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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