1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol (CAS 76469-45-9) is a chemical compound with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-phenylmethanone
Also Known As: BAS 00341424, 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol, (5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-phenylmethanone, (5-tert-Butyl-5-hydroxy-3-methyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanone
| Molecular Formula | C15H20N2O2 |
|---|---|
| Molecular Weight | 260.15 g/mol |
| LogP | 2.6431 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.15247 |
| Heavy Atoms | 19 |
| Complexity | 516.69714 |
Chemical Identifiers
| CAS Number | 76469-45-9 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC=CC=C2 |
Product Overview
1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol (CAS 76469-45-9), with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol. IUPAC: (5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-phenylmethanone.
Chemical Property Profile of 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 2.6431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 52.9 Ų, 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzoyl-5-tert-butyl-3-methyl-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-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol is 76469-45-9.
What is the molecular formula of 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol is C15H20N2O2.
What is the molecular weight of 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol is 260.15 g/mol.
Where can I buy 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-benzoyl-5-tert-butyl-3-methyl-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-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-benzoyl-5-tert-butyl-3-methyl-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.