1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol
TL;DR: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol (CAS 895331-00-7) is a chemical compound with molecular formula C18H20N4O and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(2-methylphenyl)methyl]-1H-pyrazol-3-one
Also Known As: ASN 13558190, 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol, 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-METHYL-4-(2-METHYLBENZYL)-1H-PYRAZOL-5-OL, 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(2-methylphenyl)methyl]pyrazol-5-ol, 2-(4,6-Dimethyl-pyrimidin-2-yl)-5-methyl-4-(2-methyl-benzyl)-2H-pyrazol-3-ol
| Molecular Formula | C18H20N4O |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 2.78008 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1637 |
| Heavy Atoms | 23 |
| Complexity | 900.7613 |
Chemical Identifiers
| CAS Number | 895331-00-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CC2=C(NN(C2=O)C3=NC(=CC(=N3)C)C)C |
Product Overview
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol (CAS 895331-00-7), with molecular formula C18H20N4O and molecular weight 308.16 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(2-methylphenyl)methyl]-1H-pyrazol-3-one.
Chemical Property Profile of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol
Property Insights of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol
The XLogP value of 2.78008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-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-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol?
The CAS number of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol is 895331-00-7.
What is the molecular formula of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol?
The molecular formula of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol is C18H20N4O.
What is the molecular weight of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol?
The molecular weight of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol is 308.16 g/mol.
Where can I buy 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol?
You can request a quote for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-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-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylbenzyl)-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.