Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate
TL;DR: Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate (CAS 512809-96-0) is a chemical compound with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-1,5-dimethylpyrazole-3-carboxylate
Also Known As: ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate, ethyl 4-chloro-1,5-dimethylpyrazole-3-carboxylate, 4-Chloro-1,5-dimethyl-1 H -pyrazole-3-carboxylic acid ethyl ester, ethyl 4-chloro-1,5-dimethyl-pyrazole-3-carboxylate, ethyl4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C8H11ClN2O2 |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 1.55862 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.0509 |
| Heavy Atoms | 13 |
| Complexity | 333.13016 |
Chemical Identifiers
| CAS Number | 512809-96-0 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1Cl)C)C |
Product Overview
Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate (CAS 512809-96-0), with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol. IUPAC: ethyl 4-chloro-1,5-dimethylpyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate
Property Insights of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.55862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate is 512809-96-0.
What is the molecular formula of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate is C8H11ClN2O2.
What is the molecular weight of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate is 202.05 g/mol.
Where can I buy Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.