Ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CAS No.：
Cat. No.: SC23219
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Product Name :Ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Cat. No.: :SC23219
Purity / Specification :—
CAS No. :90349-67-0
MDL No. :MFCD10566563
Molecular Formula :C9H9N3O4
LogP :-0.20
Molecular Weight :223.19
TPSA :93.5
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)c1cnn2c(O)cc(O)nc12
Melting Point :—
InChI Key : :QSZVAHIUOTZVIZ-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 223.2 Da
LogP ≤ 5✓ -0.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i64/100
Moderate — typical building block
Predicted LogP
i-0.20log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 93.5Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.