(1-methylpyrazol-4-yl)methanol
CAS No.：
Cat. No.: SC251003
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :(1-methylpyrazol-4-yl)methanol
Cat. No.: :SC251003
Purity / Specification :—
CAS No. :112029-98-8
MDL No. :MFCD01822311
Molecular Formula :C5H8N2O
LogP :-0.70
Molecular Weight :112.13
TPSA :38.1
Category :Scalable Synthesis
HSN Code :—
SMILES Code :CN1C=C(C=N1)CO
Melting Point :—
InChI Key : :QSXREDPBMQKKAY-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✓ 112.1 Da
LogP ≤ 5✓ -0.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i46/100
Fragment / low drug-likeness
Predicted LogP
i-0.70log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.1Ų · 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.