1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
TL;DR: 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-47-5) is a chemical compound with molecular formula C13H11ClF3N3O2 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide, 1H-Pyrazole-4-carboxamide, 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)-, 1-(3-Chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C13H11ClF3N3O2 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0492 |
| Heavy Atoms | 22 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 98534-47-5 |
|---|---|
| SMILES | CN(C(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C(F)(F)F)OC |
| InChIKey | PNKOYOJVBCQKHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-47-5), with molecular formula C13H11ClF3N3O2 and molecular weight 333.05 g/mol. IUPAC: 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Property Insights of 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 47.4 Ų, 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has 0 hydrogen bond donor(s) and 6 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-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The CAS number of 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is 98534-47-5.
What is the molecular formula of 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular formula of 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is C13H11ClF3N3O2.
What is the molecular weight of 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular weight of 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is 333.05 g/mol.
Where can I buy 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
You can request a quote for 1-(3-chlorophenyl)-N-methoxy-N-methyl-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 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorophenyl)-N-methoxy-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.