6-Ethyl-5-methyl-3-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
Basic information
- CAS
736962-47-3- Standard SMILES
CCc1c(C)nc2c(-c3ccccc3)c[nH]n2c1=O- InChIKey
CGMXDZAGECDQPD-UHFFFAOYSA-N- Molecular formula
- C15H15N3O
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.12151211
Names & identifiers
- Preferred name
- 6-Ethyl-5-methyl-3-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
- IUPAC
- 6-ethyl-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Names & synonyms
MLS0012056666-Ethyl-5-methyl-3-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-oneSMR0005233176-ethyl-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one6-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one736962-47-3cid_754776CHEMBL1596948BDBM96190DTXSID601321340HMS2816N05MFCD05240629
Show more names
STK103752STK851249AKOS001682252AKOS005629532CCG-114952CCc1c(C)(nH)c2n(c1=O)ncc2c1ccccc1ZINC000008914222UNM000003580101
Database identifiers
- CAS
736962-47-3- PubChem CID
- 754776
- DTXSID
DTXSID601321340- ChEMBL
CHEMBL1596948
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 496
Experimental & physicochemical properties
Solubility15.1 [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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