N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 1025724-93-9) is a chemical compound with molecular formula C12H10F3N3O and molecular weight 269.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Also Known As: N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 2X-0823, N-benzyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 1H-Pyrazole-4-carboxamide, N-(phenylmethyl)-3-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C12H10F3N3O |
| Molecular Weight | 269.0776 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0776 Da |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=C(NN=C2)C(F)(F)F |
| InChIKey | AAUMYKDUGNZBIC-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 57.8 Ų, N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 1025724-93-9.
What is the molecular formula of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C12H10F3N3O.
What is the molecular weight of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 269.0776 g/mol.
Where can I buy N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.