Ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride

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Cat. No.: SC251225

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Product Name :Ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride

Cat. No.: :SC251225

Purity / Specification :—

CAS No. :1431963-71-1

MDL No. :—

Molecular Formula :C₈H₁₄ClN₃O₂

LogP :0.76

Molecular Weight :219.67

TPSA :70.1

Category :Scalable Synthesis

HSN Code :—

SMILES Code :CCOC(=O)CN1C(=CC(=N1)C)N.Cl

Melting Point :—

InChI Key : :MJZCHUUBLXYDAZ-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 219.7 Da

LogP ≤ 5✓ 0.76

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

74/100

Good drug-like profile

Predicted LogP

0.76log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 70.1Å² · 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.