![[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone structure](/static/products/4449/444926-96-9.webp)
[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone
TL;DR: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone (CAS 444926-96-9) is a chemical compound with molecular formula C12H11F2N3O4 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone
Also Known As: [5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone, [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone, 5-(difluoromethyl)-5-hydroxy-3-methyl(2-pyrazolinyl) 3-nitrophenyl ketone, 5-(difluoromethyl)-1-{3-nitrobenzoyl}-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C12H11F2N3O4 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 1.7703 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07178 |
| Heavy Atoms | 21 |
| Complexity | 634.6835 |
Chemical Identifiers
| CAS Number | 444926-96-9 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)F)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone (CAS 444926-96-9), with molecular formula C12H11F2N3O4 and molecular weight 299.07 g/mol. IUPAC: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone
Property Insights of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone
The XLogP value of 1.7703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone has 1 hydrogen bond donor(s) and 5 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-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone?
The CAS number of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone is 444926-96-9.
What is the molecular formula of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone?
The molecular formula of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone is C12H11F2N3O4.
What is the molecular weight of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone?
The molecular weight of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone is 299.07 g/mol.
Where can I buy [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone?
You can request a quote for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.