1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid (CAS 1004193-15-0) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid
Also Known As: 1-[(4-Isopropylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid, 1-((4-Isopropylphenoxy)methyl)-1H-pyrazole-3-carboxylic acid, 1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic Acid, 1-{[4-(propan-2-yl)phenoxy]methyl}-1H-pyrazole-3-carboxylic acid, 1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.1161 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.1161 Da |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
| SMILES | CC(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)O |
| InChIKey | NKJLHKVGKCHDOP-UHFFFAOYSA-N |
Chemical Property Profile of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid is 1004193-15-0.
What is the molecular formula of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid is C14H16N2O3.
What is the molecular weight of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid is 260.1161 g/mol.
Where can I buy 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-((4-(1-Methylethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.