1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CAS No.：
Cat. No.: SC24791
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Product Name :1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
Cat. No.: :SC24791
Purity / Specification :—
CAS No. :481065-92-3
MDL No. :—
Molecular Formula :C6H5F3N2O2
LogP :1.00
Molecular Weight :194.11
TPSA :55.1
Category :Building Blocks
HSN Code :—
SMILES Code :Cn1nc(C(=O)O)cc1C(F)(F)F
Melting Point :—
InChI Key : :QMIUBFUPVMQMRE-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✓ 194.1 Da
LogP ≤ 5✓ 1.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i1.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 55.1Ų · 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.