1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-
TL;DR: 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- (CAS 102996-26-9) is a chemical compound with molecular formula C10H3Cl4N3 and molecular weight 304.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile
Also Known As: 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-, 5-chloro-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile, 5-Chloro-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C10H3Cl4N3 |
|---|---|
| Molecular Weight | 304.91 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.9081 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 102996-26-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C=N2)C#N)Cl)Cl)Cl |
| InChIKey | FWMNDOBDXWQNEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- (CAS 102996-26-9), with molecular formula C10H3Cl4N3 and molecular weight 304.91 g/mol. IUPAC: 5-chloro-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-
Property Insights of 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-
The XLogP value of 4.5 indicates that 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- 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 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-?
The CAS number of 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- is 102996-26-9.
What is the molecular formula of 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-?
The molecular formula of 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- is C10H3Cl4N3.
What is the molecular weight of 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-?
The molecular weight of 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- is 304.91 g/mol.
Where can I buy 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-?
You can request a quote for 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2,4,6-trichlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.