methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate
TL;DR: methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate (CAS 956764-06-0) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-1-methyl-3-phenylpyrazole-4-carboxylate
Also Known As: methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate, 5K-549S, methyl 5-chloro-1-methyl-3-phenylpyrazole-4-carboxylate, Methyl 5-chloro-1-methyl-3-phenyl-pyrazole-4-carboxylate, methyl5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.5271 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 549.1333 |
Chemical Identifiers
| CAS Number | 956764-06-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)OC)Cl |
Product Overview
methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate (CAS 956764-06-0), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: methyl 5-chloro-1-methyl-3-phenylpyrazole-4-carboxylate.
Chemical Property Profile of methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate
Property Insights of methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate
The XLogP value of 2.5271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-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 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate?
The CAS number of methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate is 956764-06-0.
What is the molecular formula of methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate?
The molecular formula of methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate is C12H11ClN2O2.
What is the molecular weight of methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate?
The molecular weight of methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate is 250.05 g/mol.
Where can I buy methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate?
You can request a quote for methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.