5-fluoro-1H-pyrazole
CAS No.：
Cat. No.: SC25924
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Product Name :5-fluoro-1H-pyrazole
Cat. No.: :SC25924
Purity / Specification :—
CAS No. :14521-81-4
MDL No. :MFCD1820587
Molecular Formula :C3H3FN2
LogP :0.60
Molecular Weight :86.07
TPSA :28.7
Category :Building Blocks
HSN Code :—
SMILES Code :C1=C(NN=C1)F
Melting Point :—
InChI Key : :WNDHCIJGEKNYNF-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✓ 0.60
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i51/100
Fragment / low drug-likeness
Predicted LogP
i0.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 28.7Ų · 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.