3-tert-butyl-1-phenyl-1H-pyrazol-5-ol
TL;DR: 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol (CAS 66699-82-9) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol, 5-tert-butyl-2-phenyl-1H-pyrazol-3-one, 5-tert-butyl-2-phenyl-3-pyrazolin-3-one, 3-(tert-Butyl)-1-phenyl-1H-pyrazol-5-ol, 5-(tert-Butyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.4631 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 529.0505 |
Chemical Identifiers
| CAS Number | 66699-82-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)N(N1)C2=CC=CC=C2 |
Product Overview
3-tert-butyl-1-phenyl-1H-pyrazol-5-ol (CAS 66699-82-9), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 5-tert-butyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol
Property Insights of 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol
The XLogP value of 2.4631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 37.79 Ų, 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 1 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-tert-butyl-1-phenyl-1H-pyrazol-5-ol?
The CAS number of 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol is 66699-82-9.
What is the molecular formula of 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol?
The molecular formula of 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol is C13H16N2O.
What is the molecular weight of 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol?
The molecular weight of 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol is 216.13 g/mol.
Where can I buy 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol?
You can request a quote for 3-tert-butyl-1-phenyl-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-tert-butyl-1-phenyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-1-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.