Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
Basic information
- CAS
52664-01-4- Standard SMILES
CCOC(=O)c1cnn2c(C)cc(C)nc12- InChIKey
TTXVZCLTILVGML-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
- IUPAC
- ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
- English name
- ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate52664-01-4MFCD00220707ethyl 5,7-dimethyl-8-hydropyrazolo[1,5-a]pyrimidine-3-carboxylateTTXVZCLTILVGML-UHFFFAOYSA-NCDS1_004010CBMicro_017514DivK1c_005050F3250-0649SCHEMBL1006040CHEMBL3246708DTXSID20352432
Show more names
5,7-Dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
CCG-6259SBB039936STK327646AKOS000271359Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5,7-dimethyl-, ethyl esterAB04944UPCMLD0ENAT5756814:001SY046507
Database identifiers
- CAS
52664-01-4- PubChem CID
- 726545
- DTXSID
DTXSID20352432- ChEMBL
CHEMBL3246708
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Related reactions
1 records
Compound notes
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