Pyrazolidin-3-one
CAS No.：
Cat. No.: SC18048
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Product Name :Pyrazolidin-3-one
Cat. No.: :SC18048
Purity / Specification :—
CAS No. :10234-72-7
MDL No. :MFCD04113565
Molecular Formula :C3H6N2O
LogP :-1.00
Molecular Weight :86.09
TPSA :41.1
Category :Building Blocks
HSN Code :—
SMILES Code :O=C1CCNN1
Melting Point :—
InChI Key : :NDGRWYRVNANFNB-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✓ 86.1 Da
LogP ≤ 5✓ -1.00
HBD ≤ 5✓ 2
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i42/100
Fragment / low drug-likeness
Predicted LogP
i-1.00log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 41.1Ų · 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.