3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 76480-99-4) is a chemical compound with molecular formula C4H3F3N2O and molecular weight 152.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-1,4-dihydropyrazol-5-one
Also Known As: 3-(Trifluoromethyl)-2-pyrazolin-5-one, 3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one, 4-Tetradecylaniline, Maybridge1_001589, 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C4H3F3N2O |
|---|---|
| Molecular Weight | 152.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.01974 |
| Heavy Atoms | 10 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 76480-99-4 |
|---|---|
| SMILES | C1C(=NNC1=O)C(F)(F)F |
| InChIKey | PMTWALQJNWEDLH-UHFFFAOYSA-N |
Product Overview
3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 76480-99-4), with molecular formula C4H3F3N2O and molecular weight 152.02 g/mol. IUPAC: 3-(trifluoromethyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one. With a topological polar surface area (TPSA) of 41.5 Ų, 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one has 1 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 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is 76480-99-4.
What is the molecular formula of 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is C4H3F3N2O.
What is the molecular weight of 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is 152.02 g/mol.
Where can I buy 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-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-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.