rac-(R)-7-ethyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride

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Cat. No.: SC261773

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Product Name :rac-(R)-7-ethyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride

Cat. No.: :SC261773

Purity / Specification :—

CAS No. :3104338-55-5

MDL No. :—

Molecular Formula :C₁₀H₁₆ClN₃O₂

LogP :1.14

Molecular Weight :245.71

TPSA :67.2

Category :Drug Discovery

HSN Code :—

SMILES Code :CCC1CNCc2c(C(=O)O)nn(C)c21.Cl

Melting Point :—

InChI Key : :RYIFDWPWUXMGNX-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✓ 245.7 Da

LogP ≤ 5✓ 1.14

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

82/100

Good drug-like profile

Predicted LogP

1.14log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 67.2Å² · 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.