3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
TL;DR: 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride (CAS 957294-52-9) is a chemical compound with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylpyrazole-4-carbonyl chloride
Also Known As: 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride, 3-methyl-1-phenylpyrazole-4-carbonyl chloride, 3-methyl-1-phenyl-pyrazole-4-carbonyl chloride, 3-Methyl-1-phenyl-1H-pyrazole-4-carbonylchloride
| Molecular Formula | C11H9ClN2O |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 2.55972 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.04034 |
| Heavy Atoms | 15 |
| Complexity | 490.54395 |
Chemical Identifiers
| CAS Number | 957294-52-9 |
|---|---|
| SMILES | CC1=NN(C=C1C(=O)Cl)C2=CC=CC=C2 |
Product Overview
3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride (CAS 957294-52-9), with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol. IUPAC: 3-methyl-1-phenylpyrazole-4-carbonyl chloride.
Chemical Property Profile of 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
Property Insights of 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
The XLogP value of 2.55972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-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-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
The CAS number of 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride is 957294-52-9.
What is the molecular formula of 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
The molecular formula of 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride is C11H9ClN2O.
What is the molecular weight of 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
The molecular weight of 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride is 220.04 g/mol.
Where can I buy 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
You can request a quote for 3-methyl-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-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.