Methyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
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Basic information
- CAS
1224944-45-9- Standard SMILES
COC(=O)c1cnn2ccc(=O)[nH]c12- InChIKey
QCTSIBHHYAEQFW-UHFFFAOYSA-N- Molecular formula
- C8H7N3O3
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.04874109
Names & identifiers
- Preferred name
- Methyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
- IUPAC
- methyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
- English name
- Methyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
- Molecular formula
- C8H7N3O3
- Molecular weight
- 193.16
Names & synonyms
1224944-45-9Methyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylatePyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5-dihydro-5-oxo-, methyl estermethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylateMFCD26096479methyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylateSCHEMBL405059DTXSID90728726QCTSIBHHYAEQFW-UHFFFAOYSA-NDB-431222G66639Methyl 4,5-dihydro-5-oxopyrazolo[1,5-a]pyrimidine-3-carboxylate
Show more names
Methyl 5-oxo-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
Database identifiers
- CAS
1224944-45-9- PubChem CID
- 136013161
- DTXSID
DTXSID90728726
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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