N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
TL;DR: N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-41-9) is a chemical compound with molecular formula C15H16F3N3O and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide, 1H-Pyrazole-4-carboxamide, N,N-diethyl-1-phenyl-5-(trifluoromethyl)-, N,N-Diethyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C15H16F3N3O |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.12454 |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 98534-41-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F |
| InChIKey | XELSCAODVIDCJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-41-9), with molecular formula C15H16F3N3O and molecular weight 311.12 g/mol. IUPAC: N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Property Insights of N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
The XLogP value of 3.0 indicates that N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has 0 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,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The CAS number of N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is 98534-41-9.
What is the molecular formula of N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular formula of N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is C15H16F3N3O.
What is the molecular weight of N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular weight of N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is 311.12 g/mol.
Where can I buy N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
You can request a quote for N,N-diethyl-1-phenyl-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,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.