1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 512824-90-7) is a chemical compound with molecular formula C11H11BrF3N5O4 and molecular weight 412.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
Also Known As: 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone, 2-(4-BROMO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)-1-[5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1-ETHANONE, 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
| Molecular Formula | C11H11BrF3N5O4 |
|---|---|
| Molecular Weight | 412.99 g/mol |
| LogP | 1.72132 |
| Topological Polar Surface Area | 113.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.99466 |
| Heavy Atoms | 24 |
| Complexity | 746.753 |
Chemical Identifiers
| CAS Number | 512824-90-7 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C |
Product Overview
1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 512824-90-7), with molecular formula C11H11BrF3N5O4 and molecular weight 412.99 g/mol. IUPAC: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 1.72132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. The TPSA of 113.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 6 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-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 512824-90-7.
What is the molecular formula of 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C11H11BrF3N5O4.
What is the molecular weight of 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 412.99 g/mol.
Where can I buy 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.