Basic information
- CAS
5626-70-0- Standard SMILES
CCOC(=O)c1cnn2c(C)c(C(C)=O)cnc12- InChIKey
LJKIUSCSHZCQKB-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- Ethyl 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
- IUPAC
- ethyl 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
Names & synonyms
ethyl 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylateDTXSID70348966pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 6-acetyl-7-methyl-, ethyl esterethyl 6-acetyl-7-methylpyrazolo(1,5-a)pyrimidine-3-carboxylatepyrazolo(1,5-a)pyrimidine-3-carboxylic acid, 6-acetyl-7-methyl-, ethyl esterRefChem:344493DTXCID60300038InChI=1/C12H13N3O3/c1-4-18-12(17)10-6-14-15-7(2)9(8(3)16)5-13-11(10)15/h5-6H,4H2,1-3HCBMicro_036999AKOS000612254BIM-0036953.P001AG-205/36285049
Show more names
SR-01000440221SR-01000440221-1
Database identifiers
- CAS
5626-70-0- PubChem CID
- 641925
- DTXSID
DTXSID70348966
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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