3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one
TL;DR: 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one (CAS 27204-98-4) is a chemical compound with molecular formula C8H8F3N3O2 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-3-yl]prop-2-enamide
Also Known As: 3-(ACRYLAMIDO)-1-(2,2,2-TRIFLUOROETHYL)-2-PYRAZOLIN-5-ONE, N-[5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-3-yl]prop-2-enamide, N-(5-Oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyrazol-3-yl)acrylamide, 667-292-5, RefChem:493984
| Molecular Formula | C8H8F3N3O2 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 0.3967 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.05685 |
| Heavy Atoms | 16 |
| Complexity | 362.03027 |
Chemical Identifiers
| CAS Number | 27204-98-4 |
|---|---|
| SMILES | C=CC(=O)NC1=NN(C(=O)C1)CC(F)(F)F |
Product Overview
3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one (CAS 27204-98-4), with molecular formula C8H8F3N3O2 and molecular weight 235.06 g/mol. IUPAC: N-[5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-3-yl]prop-2-enamide.
Chemical Property Profile of 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one
Property Insights of 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one
The XLogP value of 0.3967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one. Following Lipinski's Rule of Five, 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one 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 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one?
The CAS number of 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one is 27204-98-4.
What is the molecular formula of 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one?
The molecular formula of 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one is C8H8F3N3O2.
What is the molecular weight of 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one?
The molecular weight of 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one is 235.06 g/mol.
Where can I buy 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one?
You can request a quote for 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.