Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
TL;DR: Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate (CAS 1002418-10-1) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
Also Known As: methyl 2-(trimethyl-1H-pyrazol-4-yl)acetate, methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate, methyl (1,3,5-trimethyl-1H-pyrazol-4-yl)acetate, G28692
Technical Specifications
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.10553 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.10553 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | CC1=C(C(=NN1C)C)CC(=O)OC |
| InChIKey | UTZNXPWDFMTEHD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
Property Insights of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate. With a topological polar surface area (TPSA) of 44.1 Ų, Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The CAS number of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate is 1002418-10-1.
What is the molecular formula of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The molecular formula of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate is C9H14N2O2.
What is the molecular weight of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The molecular weight of Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate is 182.10553 g/mol.
Where can I buy Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
You can request a quote for Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.