ethyl 3-methyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 3-methyl-1H-pyrazole-4-carboxylate (CAS 115051-77-9) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-methyl-1H-pyrazole-4-carboxylate
Also Known As: ethyl 3-methyl-1H-pyrazole-4-carboxylate, ethyl 5-methyl-1H-pyrazole-4-carboxylate, Ethyl 3-Methylpyrazole-4-carboxylate, Ethyl 5-methylpyrazole-4-carboxylate, Pyrazole carboxylic ester 3
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.07423 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.07423 Da |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| SMILES | CCOC(=O)C1=C(NN=C1)C |
| InChIKey | HHYVTIKYZUMDIL-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-methyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 3-methyl-1H-pyrazole-4-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-methyl-1H-pyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, ethyl 3-methyl-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-methyl-1H-pyrazole-4-carboxylate 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
What is the CAS number of ethyl 3-methyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 3-methyl-1H-pyrazole-4-carboxylate is 115051-77-9.
What is the molecular formula of ethyl 3-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 3-methyl-1H-pyrazole-4-carboxylate is C7H10N2O2.
What is the molecular weight of ethyl 3-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 3-methyl-1H-pyrazole-4-carboxylate is 154.07423 g/mol.
Where can I buy ethyl 3-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 3-methyl-1H-pyrazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-methyl-1H-pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.