1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 331711-01-4) is a chemical compound with molecular formula C21H21F3N2O2 and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, (4-tert-butylphenyl)-[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
| Molecular Formula | C21H21F3N2O2 |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 4.5936 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.15552 |
| Heavy Atoms | 28 |
| Complexity | 899.9882 |
Chemical Identifiers
| CAS Number | 331711-01-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(F)(F)F)(C3=CC=CC=C3)O |
Product Overview
1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 331711-01-4), with molecular formula C21H21F3N2O2 and molecular weight 390.16 g/mol. IUPAC: (4-tert-butylphenyl)-[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 4.5936 indicates that 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 3 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-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 331711-01-4.
What is the molecular formula of 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C21H21F3N2O2.
What is the molecular weight of 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 390.16 g/mol.
Where can I buy 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-(4-tert-butylbenzoyl)-5-phenyl-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-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-tert-butylbenzoyl)-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.