3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
TL;DR: 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL (CAS 333770-66-4) is a chemical compound with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone
Also Known As: BAS 01002441, 3-BUTYL-1-(4-HYDROXYBENZOYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-5-OL, [3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone, (3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(4-hydroxyphenyl)methanone, [3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-hydroxyphenyl)methanone
| Molecular Formula | C15H17F3N2O3 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 3.0352 |
| Topological Polar Surface Area | 73.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11914 |
| Heavy Atoms | 23 |
| Complexity | 613.38824 |
Chemical Identifiers
| CAS Number | 333770-66-4 |
|---|---|
| SMILES | CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)O |
Product Overview
3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL (CAS 333770-66-4), with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol. IUPAC: [3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone.
Chemical Property Profile of 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
Property Insights of 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
The XLogP value of 3.0352 indicates that 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL. Following Lipinski's Rule of Five, 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL has 2 hydrogen bond donor(s) and 4 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 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL?
The CAS number of 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL is 333770-66-4.
What is the molecular formula of 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL?
The molecular formula of 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL is C15H17F3N2O3.
What is the molecular weight of 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL?
The molecular weight of 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL is 330.12 g/mol.
Where can I buy 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL?
You can request a quote for 3-Butyl-1-(4-hydroxybenzoyl)-5-(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 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1-(4-hydroxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.