Methyl 4-Chloro-1H-pyrazole-3-carboxylate
TL;DR: Methyl 4-Chloro-1H-pyrazole-3-carboxylate (CAS 100559-21-5) is a chemical compound with molecular formula C5H5ClN2O2 and molecular weight 160.00395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-chloro-1H-pyrazole-5-carboxylate
Also Known As: methyl 4-chloro-1H-pyrazole-3-carboxylate, methyl 4-chloro-1H-pyrazole-5-carboxylate, 2-aminopyrimidine saccharin, methyl 4-chloropyrazole-3-carboxylate, 1H-pyrazole-3-carboxylic acid, 4-chloro-, methyl ester
Technical Specifications
| Molecular Formula | C5H5ClN2O2 |
| Molecular Weight | 160.00395 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.00395 Da |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
| SMILES | COC(=O)C1=C(C=NN1)Cl |
| InChIKey | AQUQWWCPNUDMIX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-Chloro-1H-pyrazole-3-carboxylate
Property Insights of Methyl 4-Chloro-1H-pyrazole-3-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-Chloro-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Methyl 4-Chloro-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-Chloro-1H-pyrazole-3-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 Methyl 4-Chloro-1H-pyrazole-3-carboxylate?
The CAS number of Methyl 4-Chloro-1H-pyrazole-3-carboxylate is 100559-21-5.
What is the molecular formula of Methyl 4-Chloro-1H-pyrazole-3-carboxylate?
The molecular formula of Methyl 4-Chloro-1H-pyrazole-3-carboxylate is C5H5ClN2O2.
What is the molecular weight of Methyl 4-Chloro-1H-pyrazole-3-carboxylate?
The molecular weight of Methyl 4-Chloro-1H-pyrazole-3-carboxylate is 160.00395 g/mol.
Where can I buy Methyl 4-Chloro-1H-pyrazole-3-carboxylate?
You can request a quote for Methyl 4-Chloro-1H-pyrazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-Chloro-1H-pyrazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-Chloro-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.