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1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
TL;DR: 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CAS 515150-99-9) is a chemical compound with molecular formula C12H10F3N3O and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Also Known As: 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide, 1-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
| Molecular Formula | C12H10F3N3O |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.6912 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0776 |
| Heavy Atoms | 19 |
| Complexity | 587.0122 |
Chemical Identifiers
| CAS Number | 515150-99-9 |
|---|---|
| SMILES | CN1C=C(C=N1)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
Product Overview
1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CAS 515150-99-9), with molecular formula C12H10F3N3O and molecular weight 269.08 g/mol. IUPAC: 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
Chemical Property Profile of 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Property Insights of 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
The XLogP value of 2.6912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has 1 hydrogen bond donor(s) and 2 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 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The CAS number of 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is 515150-99-9.
What is the molecular formula of 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The molecular formula of 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is C12H10F3N3O.
What is the molecular weight of 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The molecular weight of 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is 269.08 g/mol.
Where can I buy 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
You can request a quote for 1-methyl-N-[4-(trifluoromethyl)phenyl]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 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.