![1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one structure](/static/products/5128/512825-87-5.webp)
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
TL;DR: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one (CAS 512825-87-5) is a chemical compound with molecular formula C12H13F4N5O5 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
Also Known As: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one, 3,5-bis(difluoromethyl)-1-(2-{4-nitro-3-methoxy-1H-pyrazol-1-yl}propanoyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-[3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-(3-METHOXY-4-NITRO-1H-PYRAZOL-1-YL)-1-PROPANONE, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propan-1-one
| Molecular Formula | C12H13F4N5O5 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 1.168 |
| Topological Polar Surface Area | 123.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.08527 |
| Heavy Atoms | 26 |
| Complexity | 754.3694 |
Chemical Identifiers
| CAS Number | 512825-87-5 |
|---|---|
| SMILES | CC(C(=O)N1C(CC(=N1)C(F)F)(C(F)F)O)N2C=C(C(=N2)OC)[N+](=O)[O-] |
Product Overview
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one (CAS 512825-87-5), with molecular formula C12H13F4N5O5 and molecular weight 383.09 g/mol. IUPAC: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one.
Chemical Property Profile of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
Property Insights of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
The XLogP value of 1.168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one. The TPSA of 123.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one. Following Lipinski's Rule of Five, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one 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 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one?
The CAS number of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one is 512825-87-5.
What is the molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one?
The molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one is C12H13F4N5O5.
What is the molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one?
The molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one is 383.09 g/mol.
Where can I buy 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one?
You can request a quote for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.