1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate
TL;DR: 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate (CAS 477713-69-2) is a chemical compound with molecular formula C12H9ClF3N3O2 and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(3-chlorophenyl)carbamate
Also Known As: 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate, [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(3-chlorophenyl)carbamate, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-ylN-(3-chlorophenyl)carbamate, Carbamic acid, (3-chlorophenyl)-, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl ester (9CI)
| Molecular Formula | C12H9ClF3N3O2 |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 3.7032 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.03354 |
| Heavy Atoms | 21 |
| Complexity | 670.0075 |
Chemical Identifiers
| CAS Number | 477713-69-2 |
|---|---|
| SMILES | CN1C(=CC(=N1)OC(=O)NC2=CC(=CC=C2)Cl)C(F)(F)F |
Product Overview
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate (CAS 477713-69-2), with molecular formula C12H9ClF3N3O2 and molecular weight 319.03 g/mol. IUPAC: [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate
Property Insights of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate
The XLogP value of 3.7032 indicates that 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate has 1 hydrogen bond donor(s) and 3 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-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate?
The CAS number of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate is 477713-69-2.
What is the molecular formula of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate?
The molecular formula of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate is C12H9ClF3N3O2.
What is the molecular weight of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate?
The molecular weight of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate is 319.03 g/mol.
Where can I buy 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate?
You can request a quote for 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.