1-methylpyrazol-4-amine;hydrochloride
CAS No.：
Cat. No.: SC25946
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Product Name :1-methylpyrazol-4-amine;hydrochloride
Cat. No.: :SC25946
Purity / Specification :—
CAS No. :127107-23-7
MDL No. :MFCD0762661
Molecular Formula :C4H8ClN3
LogP :0.42
Molecular Weight :133.58
TPSA :43.8
Category :CDMO
HSN Code :—
SMILES Code :Cl.Cn1cc(N)cn1
Melting Point :—
InChI Key : :OKPCAONVUKBJJQ-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✓ 133.6 Da
LogP ≤ 5✓ 0.42
HBD ≤ 5✓ 2
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i55/100
Moderate — typical building block
Predicted LogP
i0.42log 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.