3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester
TL;DR: 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester (CAS 126416-42-0) is a chemical compound with molecular formula C7H10N2O4 and molecular weight 186.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4,5-dihydro-3H-pyrazole-3,4-dicarboxylate
Also Known As: dimethyl 4,5-dihydro-3H-pyrazole-3,4-dicarboxylate, 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester, 3H-Pyrazole-3,4-dicarboxylic acid,4,5-dihydro-,dimethyl ester
Technical Specifications
| Molecular Formula | C7H10N2O4 |
| Molecular Weight | 186.06406 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.06406 Da |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
| SMILES | COC(=O)C1CN=NC1C(=O)OC |
| InChIKey | WJAGOCRHUZQRSG-UHFFFAOYSA-N |
Chemical Property Profile of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester
Property Insights of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester. Following Lipinski's Rule of Five, 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester?
The CAS number of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester is 126416-42-0.
What is the molecular formula of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester?
The molecular formula of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester is C7H10N2O4.
What is the molecular weight of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester?
The molecular weight of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester is 186.06406 g/mol.
Where can I buy 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester?
You can request a quote for 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester?
Yes, CoreyChem provides custom synthesis services for 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.