1-(difluoromethyl)-3-methyl-1H-pyrazole
TL;DR: 1-(difluoromethyl)-3-methyl-1H-pyrazole (CAS 946699-16-7) is a chemical compound with molecular formula C5H6F2N2 and molecular weight 132.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethyl)-3-methylpyrazole
Also Known As: 1-(difluoromethyl)-3-methyl-1H-pyrazole, 1-(difluoromethyl)-3-methylpyrazole, 1-Difluoromethyl-3-methyl-1H-pyrazole, 1-(difluoromethyl)-3-methyl-pyrazole, 3-FLUORO-4-(2-ISOPROPYL-5-METHYLPHENOXY)ANILINE
| Molecular Formula | C5H6F2N2 |
|---|---|
| Molecular Weight | 132.05 g/mol |
| LogP | 1.58662 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.04991 |
| Heavy Atoms | 9 |
| Complexity | 194.59299 |
Chemical Identifiers
| CAS Number | 946699-16-7 |
|---|---|
| SMILES | CC1=NN(C=C1)C(F)F |
Product Overview
1-(difluoromethyl)-3-methyl-1H-pyrazole (CAS 946699-16-7), with molecular formula C5H6F2N2 and molecular weight 132.05 g/mol. IUPAC: 1-(difluoromethyl)-3-methylpyrazole.
Chemical Property Profile of 1-(difluoromethyl)-3-methyl-1H-pyrazole
Property Insights of 1-(difluoromethyl)-3-methyl-1H-pyrazole
The XLogP value of 1.58662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(difluoromethyl)-3-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 1-(difluoromethyl)-3-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(difluoromethyl)-3-methyl-1H-pyrazole has 0 hydrogen bond donor(s) and 1 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-(difluoromethyl)-3-methyl-1H-pyrazole?
The CAS number of 1-(difluoromethyl)-3-methyl-1H-pyrazole is 946699-16-7.
What is the molecular formula of 1-(difluoromethyl)-3-methyl-1H-pyrazole?
The molecular formula of 1-(difluoromethyl)-3-methyl-1H-pyrazole is C5H6F2N2.
What is the molecular weight of 1-(difluoromethyl)-3-methyl-1H-pyrazole?
The molecular weight of 1-(difluoromethyl)-3-methyl-1H-pyrazole is 132.05 g/mol.
Where can I buy 1-(difluoromethyl)-3-methyl-1H-pyrazole?
You can request a quote for 1-(difluoromethyl)-3-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(difluoromethyl)-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(difluoromethyl)-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.