![[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone structure](/static/products/5128/512823-58-4.webp)
[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
TL;DR: [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CAS 512823-58-4) is a chemical compound with molecular formula C16H16F3N5O5 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, [5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, 1-[5-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-2-furoyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, {5-[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}[5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]METHANONE, {5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
| Molecular Formula | C16H16F3N5O5 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 2.52214 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.11035 |
| Heavy Atoms | 29 |
| Complexity | 1024.7993 |
Chemical Identifiers
| CAS Number | 512823-58-4 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
Product Overview
[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CAS 512823-58-4), with molecular formula C16H16F3N5O5 and molecular weight 415.11 g/mol. IUPAC: [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Property Insights of [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
The XLogP value of 2.52214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone. Following Lipinski's Rule of Five, [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has 1 hydrogen bond donor(s) and 7 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 [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The CAS number of [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is 512823-58-4.
What is the molecular formula of [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The molecular formula of [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is C16H16F3N5O5.
What is the molecular weight of [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The molecular weight of [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is 415.11 g/mol.
Where can I buy [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
You can request a quote for [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-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 [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.