N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
TL;DR: N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-53-3) is a chemical compound with molecular formula C13H12F3N3O and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide, 1H-Pyrazole-4-carboxamide, N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)-, N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C13H12F3N3O |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.09326 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 98534-53-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC)C(F)(F)F |
| InChIKey | YBGWKIMNBMPXAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-53-3), with molecular formula C13H12F3N3O and molecular weight 283.09 g/mol. IUPAC: N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
Property Insights of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 46.9 Ų, N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The CAS number of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is 98534-53-3.
What is the molecular formula of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular formula of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is C13H12F3N3O.
What is the molecular weight of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular weight of N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is 283.09 g/mol.
Where can I buy N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
You can request a quote for N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.