5-chloro-1-methylpyrazol-4-amine
CAS No.：
Cat. No.: SC25934
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Product Name :5-chloro-1-methylpyrazol-4-amine
Cat. No.: :SC25934
Purity / Specification :—
CAS No. :406189-04-6
MDL No. :MFCD19214140
Molecular Formula :C4H6ClN3
LogP :0.50
Molecular Weight :131.56
TPSA :43.8
Category :CDMO
HSN Code :—
SMILES Code :Cn1ncc(N)c1Cl
Melting Point :—
InChI Key : :HHGWNOSKFDRZHS-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✓ 131.6 Da
LogP ≤ 5✓ 0.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i57/100
Moderate — typical building block
Predicted LogP
i0.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 43.8Ų · 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.