1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate
TL;DR: 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate (CAS 477713-75-0) is a chemical compound with molecular formula C9H10F3N3O2 and molecular weight 249.07 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-prop-2-enylcarbamate
Also Known As: 6M-546S, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate, [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-(prop-2-en-1-yl)carbamate
| Molecular Formula | C9H10F3N3O2 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 1.7133 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.07251 |
| Heavy Atoms | 17 |
| Complexity | 425.61084 |
Chemical Identifiers
| CAS Number | 477713-75-0 |
|---|---|
| SMILES | CN1C(=CC(=N1)OC(=O)NCC=C)C(F)(F)F |
Product Overview
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate (CAS 477713-75-0), with molecular formula C9H10F3N3O2 and molecular weight 249.07 g/mol. IUPAC: [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate.
Chemical Property Profile of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate
Property Insights of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate
The XLogP value of 1.7133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate. With a topological polar surface area (TPSA) of 56.15 Ų, 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate 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-allylcarbamate 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-allylcarbamate?
The CAS number of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate is 477713-75-0.
What is the molecular formula of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate?
The molecular formula of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate is C9H10F3N3O2.
What is the molecular weight of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate?
The molecular weight of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate is 249.07 g/mol.
Where can I buy 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate?
You can request a quote for 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate 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-allylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.