Ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CAS No.：
Cat. No.: SC23220
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Product Name :Ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Cat. No.: :SC23220
Purity / Specification :—
CAS No. :940284-55-9
MDL No. :MFCD10566564
Molecular Formula :C9H7Cl2N3O2
LogP :2.50
Molecular Weight :260.07
TPSA :56.5
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)c1cnn2c(Cl)cc(Cl)nc12
Melting Point :—
InChI Key : :JDTUBXNZVFYLQV-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✓ 260.1 Da
LogP ≤ 5✓ 2.50
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i92/100
Excellent drug-like profile
Predicted LogP
i2.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 56.5Ų · 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.