(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
TL;DR: (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone (CAS 515832-10-7) is a chemical compound with molecular formula C11H13BrF2N4O2 and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-1,3-dimethylpyrazol-5-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
Also Known As: (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone, (4-bromo-2,5-dimethylpyrazol-3-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone, 1-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-5-(difluoromethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C11H13BrF2N4O2 |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 1.66652 |
| Topological Polar Surface Area | 70.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.01898 |
| Heavy Atoms | 20 |
| Complexity | 601.4888 |
Chemical Identifiers
| CAS Number | 515832-10-7 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)F)O)C(=O)C2=C(C(=NN2C)C)Br |
Product Overview
(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone (CAS 515832-10-7), with molecular formula C11H13BrF2N4O2 and molecular weight 350.02 g/mol. IUPAC: (4-bromo-1,3-dimethylpyrazol-5-yl)-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
Property Insights of (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
The XLogP value of 1.66652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone. The TPSA of 70.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone. Following Lipinski's Rule of Five, (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone 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 (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone?
The CAS number of (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone is 515832-10-7.
What is the molecular formula of (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone?
The molecular formula of (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone is C11H13BrF2N4O2.
What is the molecular weight of (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone?
The molecular weight of (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone is 350.02 g/mol.
Where can I buy (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone?
You can request a quote for (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.