4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

CAS No.：

Cat. No.: SC251026

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Product Name :4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

Cat. No.: :SC251026

Purity / Specification :—

CAS No. :844442-38-2

MDL No. :MFCD13184820

Molecular Formula :C₁₂H₁₅ClO₂

LogP :2.60

Molecular Weight :226.70

TPSA :98.9

Category :API Intermediates

HSN Code :—

SMILES Code :ClC1=C(C(=O)NC=2C=NNC2C(=O)NC2CCNCC2)C(=CC=C1)Cl

Melting Point :—

InChI Key : :OVPNQJVDAFNBDN-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✓ 226.7 Da

LogP ≤ 5✓ 2.60

HBD ≤ 5✓ 4

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

73/100

Good drug-like profile

Predicted LogP

2.60log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS− unlikely

TPSA 98.9Å² · 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.