4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol
TL;DR: 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol (CAS 895330-90-2) is a chemical compound with molecular formula C21H26N4O and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one
Also Known As: 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol, 4-(4-(tert-butyl)benzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol, 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one, 4-[4-(TERT-BUTYL)BENZYL]-1-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-METHYL-1H-PYRAZOL-5-OL, 4-{[4-(tert-butyl)phenyl]methyl}-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazo l-5-ol
| Molecular Formula | C21H26N4O |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 3.76916 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.21066 |
| Heavy Atoms | 26 |
| Complexity | 968.08105 |
Chemical Identifiers
| CAS Number | 895330-90-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=C(C=C3)C(C)(C)C)C |
Product Overview
4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol (CAS 895330-90-2), with molecular formula C21H26N4O and molecular weight 350.21 g/mol. IUPAC: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol
Property Insights of 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol
The XLogP value of 3.76916 indicates that 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-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 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol?
The CAS number of 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol is 895330-90-2.
What is the molecular formula of 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol?
The molecular formula of 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol is C21H26N4O.
What is the molecular weight of 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol?
The molecular weight of 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol is 350.21 g/mol.
Where can I buy 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol?
You can request a quote for 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-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 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-tert-butylbenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.