methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate
TL;DR: methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate (CAS 104316-78-1) is a chemical compound with molecular formula C8H10N2O4 and molecular weight 198.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate
Also Known As: ICCB6_000253, BCB03_000130, methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate, 1H-Pyrazole-4-acetic acid, 3-(methoxycarbonyl)-, methyl ester
Technical Specifications
| Molecular Formula | C8H10N2O4 |
| Molecular Weight | 198.06406 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.06406 Da |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
| SMILES | COC(=O)CC1=C(NN=C1)C(=O)OC |
| InChIKey | NNFMAHHGDOWJPS-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate
Property Insights of methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate has 1 hydrogen bond donor(s) and 5 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 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate?
The CAS number of methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate is 104316-78-1.
What is the molecular formula of methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate is C8H10N2O4.
What is the molecular weight of methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate is 198.06406 g/mol.
Where can I buy methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 4-(2-methoxy-2-oxoethyl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.