Basic information
- CAS
419545-63-4- Standard SMILES
CCCc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1- InChIKey
FRRDLPUGHJSODK-UHFFFAOYSA-N- Molecular formula
- C16H16ClN3O
- Average molar mass
- 301.77 g/mol
- Monoisotopic mass
- 301.0981898
Names & identifiers
- Preferred name
- 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
- IUPAC
- 3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Names & synonyms
MLS0012067363-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one3-(4-chlorophenyl)-2-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7(4H)-oneSMR0005187923-(4-Chloro-phenyl)-2-methyl-5-propyl-4H-pyrazolo[1,5-a]pyrimidin-7-oneCambridge id 5670720Oprea1_378354419545-63-4cid_753151CHEMBL3718167SCHEMBL13516882BDBM53478
Show more names
DTXSID701324042O-acyl oxime isatin derivative, 59STK855753AKOS000592736AKOS005632416ST500181313-(4-chlorophenyl)-2-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-ol3-(4-Chlorophenyl)-2-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7(1H)-one
Database identifiers
- CAS
419545-63-4- PubChem CID
- 753151
- DTXSID
DTXSID701324042- ChEMBL
CHEMBL3718167
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 542
Experimental & physicochemical properties
Solubility15.8 [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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