methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate
TL;DR: methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate (CAS 1003293-40-0) is a chemical compound with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(chloromethyl)pyrazole-3-carboxylate
Also Known As: methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate, methyl 1-(chloromethyl)pyrazole-3-carboxylate, 7144AC, 1-Chloromethyl-1H-pyrazole-3-carboxylic acid methyl ester, 1-chloromethyl-1 h-pyrazole-3-carboxylic acid methyl ester
| Molecular Formula | C6H7ClN2O2 |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 0.866 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0196 |
| Heavy Atoms | 11 |
| Complexity | 258.8399 |
Chemical Identifiers
| CAS Number | 1003293-40-0 |
|---|---|
| SMILES | COC(=O)C1=NN(C=C1)CCl |
Product Overview
methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate (CAS 1003293-40-0), with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol. IUPAC: methyl 1-(chloromethyl)pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate
Property Insights of methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate
The XLogP value of 0.866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(chloromethyl)-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 methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate is 1003293-40-0.
What is the molecular formula of methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate is C6H7ClN2O2.
What is the molecular weight of methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate is 174.02 g/mol.
Where can I buy methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-(chloromethyl)-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 methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(chloromethyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.