5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride
TL;DR: 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride (CAS 959574-46-0) is a chemical compound with molecular formula C12H11ClN2O and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(4-methylphenyl)pyrazole-4-carbonyl chloride
Also Known As: 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride, 5-methyl-1-(4-methylphenyl)pyrazole-4-carbonyl Chloride, 5-Methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbonyl chloride
| Molecular Formula | C12H11ClN2O |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 2.86814 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.05598 |
| Heavy Atoms | 16 |
| Complexity | 528.45184 |
Chemical Identifiers
| CAS Number | 959574-46-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)Cl)C |
Product Overview
5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride (CAS 959574-46-0), with molecular formula C12H11ClN2O and molecular weight 234.06 g/mol. IUPAC: 5-methyl-1-(4-methylphenyl)pyrazole-4-carbonyl chloride.
Chemical Property Profile of 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride
Property Insights of 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride
The XLogP value of 2.86814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride has 0 hydrogen bond donor(s) and 2 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 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride?
The CAS number of 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride is 959574-46-0.
What is the molecular formula of 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride?
The molecular formula of 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride is C12H11ClN2O.
What is the molecular weight of 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride?
The molecular weight of 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride is 234.06 g/mol.
Where can I buy 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride?
You can request a quote for 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-p-tolyl-1H-pyrazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.