(2-methylpyrazol-3-yl)boronic acid
CAS No.：
Cat. No.: SC20087
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Product Name :(2-methylpyrazol-3-yl)boronic acid
Cat. No.: :SC20087
Purity / Specification :—
CAS No. :720702-41-0
MDL No. :MFCD11053031
Molecular Formula :C4H7BN2O2
LogP :-1.90
Molecular Weight :125.92
TPSA :58.3
Category :Building Blocks
HSN Code :—
SMILES Code :Cn1nccc1B(O)O
Melting Point :—
InChI Key : :MGNBKNBEZGLHNF-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✓ 125.9 Da
LogP ≤ 5✓ -1.90
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i46/100
Fragment / low drug-likeness
Predicted LogP
i-1.90log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 58.3Ų · 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.