5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
TL;DR: 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile (CAS 321848-49-1) is a chemical compound with molecular formula C11H8ClN3 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methyl-3-phenylpyrazole-4-carbonitrile
Also Known As: 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile, 5-chloro-1-methyl-3-phenylpyrazole-4-carbonitrile, chloromethylphenylpyrazolecarbonitrile, 8L-515S
| Molecular Formula | C11H8ClN3 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 2.61218 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.04068 |
| Heavy Atoms | 15 |
| Complexity | 522.75635 |
Chemical Identifiers
| CAS Number | 321848-49-1 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)Cl |
Product Overview
5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile (CAS 321848-49-1), with molecular formula C11H8ClN3 and molecular weight 217.04 g/mol. IUPAC: 5-chloro-1-methyl-3-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
Property Insights of 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
The XLogP value of 2.61218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile 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-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The CAS number of 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile is 321848-49-1.
What is the molecular formula of 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile is C11H8ClN3.
What is the molecular weight of 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile is 217.04 g/mol.
Where can I buy 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.