5-Cyclopropyl-3-[4-(phenylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7(1H)-one
Basic information
- CAS
142664-23-1- Standard SMILES
O=c1cc(C2CC2)nc2c(-c3ccc(Sc4ccccc4)cc3)c[nH]n12- InChIKey
PSLFYPJKOAOKBB-UHFFFAOYSA-N- Molecular formula
- C21H17N3OS
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.10923335
Names & identifiers
- Preferred name
- 5-Cyclopropyl-3-[4-(phenylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7(1H)-one
- IUPAC
- 5-cyclopropyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Names & synonyms
142664-23-15-Cyclopropyl-3-[4-(phenylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7(1H)-oneSCHEMBL7903383DTXSID70611662
Database identifiers
- CAS
142664-23-1- PubChem CID
- 21253124
- DTXSID
DTXSID70611662
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 665
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