1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester
TL;DR: 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester (CAS 4404-61-9) is a chemical compound with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-3-pyridinyl)methyl 5-methyl-1H-pyrazole-3-carboxylate
Also Known As: 4-bromo-2-ethoxypyrimidine, 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester, (5-Chloro-3-pyridinyl)methyl 5-methyl-1H-pyrazole-3-carboxylate, (5-chloropyridin-3-yl)methyl 5-methyl-1h-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylicacid,5-methyl-, methylester
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 4404-61-9 |
|---|---|
| SMILES | CC1=CC(=NN1)C(=O)OCC2=CC(=CN=C2)Cl |
| InChIKey | YPHZQMMVDAMBHK-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester (CAS 4404-61-9), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: (5-chloro-3-pyridinyl)methyl 5-methyl-1H-pyrazole-3-carboxylate.
Chemical Property Profile of 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester
Property Insights of 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester has 1 hydrogen bond donor(s) and 4 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 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester?
The CAS number of 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester is 4404-61-9.
What is the molecular formula of 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester?
The molecular formula of 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester is C11H10ClN3O2.
What is the molecular weight of 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester?
The molecular weight of 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester is 251.05 g/mol.
Where can I buy 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester?
You can request a quote for 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-chloro-3-pyridinyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.