1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CAS No.：
Cat. No.: SC23459
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Product Name :1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Cat. No.: :SC23459
Purity / Specification :—
CAS No. :1036991-40-8
MDL No. :MFCD0986418
Molecular Formula :C11H19BN2O2
LogP :1.03
Molecular Weight :222.09
TPSA :36.3
Category :CDMO
HSN Code :—
SMILES Code :Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1C
Melting Point :—
InChI Key : :ZLIQCQOFVHSHPX-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✓ 222.1 Da
LogP ≤ 5✓ 1.03
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i1.03log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 36.3Ų · 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.