3-(4-aminopyrazol-1-yl)propanoic acid;hydrochloride
CAS No.：
Cat. No.: SC251233
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Product Name :3-(4-aminopyrazol-1-yl)propanoic acid;hydrochloride
Cat. No.: :SC251233
Purity / Specification :—
CAS No. :1431966-50-5
MDL No. :—
Molecular Formula :C6H10ClN3O2
LogP :0.36
Molecular Weight :191.62
TPSA :81.1
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=C(C=NN1CCC(=O)O)N.Cl
Melting Point :—
InChI Key : :FEOVEKVIBXTIQZ-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✓ 191.6 Da
LogP ≤ 5✓ 0.36
HBD ≤ 5✓ 3
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i63/100
Moderate — typical building block
Predicted LogP
i0.36log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 81.1Ų · 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.