1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 331710-73-7) is a chemical compound with molecular formula C12H10F3N3O4 and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-5-methyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
Also Known As: BAS 00436205, 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [5-hydroxy-5-methyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
| Molecular Formula | C12H10F3N3O4 |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 2.0675 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.06235 |
| Heavy Atoms | 22 |
| Complexity | 669.8255 |
Chemical Identifiers
| CAS Number | 331710-73-7 |
|---|---|
| SMILES | CC1(CC(=NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C(F)(F)F)O |
Product Overview
1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 331710-73-7), with molecular formula C12H10F3N3O4 and molecular weight 317.06 g/mol. IUPAC: [5-hydroxy-5-methyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone.
Chemical Property Profile of 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 2.0675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 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 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 331710-73-7.
What is the molecular formula of 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C12H10F3N3O4.
What is the molecular weight of 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 317.06 g/mol.
Where can I buy 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-{2-nitrobenzoyl}-5-methyl-3-(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-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-nitrobenzoyl}-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.