3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
TL;DR: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride (CAS 61226-20-8) 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.
3,5-dimethyl-1-phenylpyrazole-4-carbonyl chloride
Also Known As: 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride, 3,5-dimethyl-1-phenylpyrazole-4-carbonyl chloride, 1H-Pyrazole-4-carbonylchloride, 3,5-dimethyl-1-phenyl-, 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYLCHLORIDE, 3,5-dimethyl-1-phenyl-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 | 531.45184 |
Chemical Identifiers
| CAS Number | 61226-20-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)Cl |
Product Overview
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride (CAS 61226-20-8), with molecular formula C12H11ClN2O and molecular weight 234.06 g/mol. IUPAC: 3,5-dimethyl-1-phenylpyrazole-4-carbonyl chloride.
Chemical Property Profile of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
Property Insights of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
The XLogP value of 2.86814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-phenyl-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 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
The CAS number of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride is 61226-20-8.
What is the molecular formula of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
The molecular formula of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride is C12H11ClN2O.
What is the molecular weight of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
The molecular weight of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride is 234.06 g/mol.
Where can I buy 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
You can request a quote for 3,5-Dimethyl-1-phenyl-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 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.