1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
TL;DR: 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- (CAS 93071-75-1) is a chemical compound with molecular formula C5H5F3N2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(trifluoromethyl)-1H-pyrazole
Also Known As: 5-methyl-3-(trifluoromethyl)-1H-pyrazole, 3-Methyl-5-(trifluoromethyl)pyrazole, 3-Methyl-5-(trifluoromethyl)-1H-pyrazole, 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-, 5-Methyl-3-trifluoromethyl-1H-pyrazole
| Molecular Formula | C5H5F3N2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.04048 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 93071-75-1 |
|---|---|
| SMILES | CC1=CC(=NN1)C(F)(F)F |
| InChIKey | DLCHCAYDSKIFIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- (CAS 93071-75-1), with molecular formula C5H5F3N2 and molecular weight 150.04 g/mol. IUPAC: 5-methyl-3-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
Property Insights of 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 28.7 Ų, 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 4 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 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-?
The CAS number of 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- is 93071-75-1.
What is the molecular formula of 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-?
The molecular formula of 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- is C5H5F3N2.
What is the molecular weight of 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-?
The molecular weight of 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- is 150.04 g/mol.
Where can I buy 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-?
You can request a quote for 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.