Basic information
- CAS
708224-93-5- Standard SMILES
CCc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1- InChIKey
QUXXHBMOGSHBBN-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- 5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
- IUPAC
- 5-ethyl-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Names & synonyms
5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one708224-93-55-ethyl-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-oneMLS001206272CHEMBL1331262DTXSID601325623HMS2824L18STK583390STL0155815-Ethyl-3-(4-methoxy-phenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-oneAKOS000552649AKOS005506889
Show more names
SMR000524164AO-022/426586295-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-ol5-Ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(1H)-one
Database identifiers
- CAS
708224-93-5- PubChem CID
- 971409
- DTXSID
DTXSID601325623- ChEMBL
CHEMBL1331262
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 540
Experimental & physicochemical properties
Solubility36.8 [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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