1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-
TL;DR: 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- (CAS 58791-79-0) is a chemical compound with molecular formula C10H6Cl2N4 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(2,4-dichlorophenyl)pyrazole-4-carbonitrile
Also Known As: 5-amino-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile, Maybridge1_001730, 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-, 5-amino-1-(2,4-dichlorophenyl)pyrazole-4-carbonitrile, 5-Amino-4-cyano-1-(2,4-dichlorophenyl)pyrazole
| Molecular Formula | C10H6Cl2N4 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.99695 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 58791-79-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)N2C(=C(C=N2)C#N)N |
| InChIKey | WDDDQTCPSCIJSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- (CAS 58791-79-0), with molecular formula C10H6Cl2N4 and molecular weight 252.00 g/mol. IUPAC: 5-amino-1-(2,4-dichlorophenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-
Property Insights of 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-
The XLogP value of 3.1 indicates that 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-. Following Lipinski's Rule of Five, 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- has 1 hydrogen bond donor(s) and 3 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-amino-1-(2,4-dichlorophenyl)-?
The CAS number of 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- is 58791-79-0.
What is the molecular formula of 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-?
The molecular formula of 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- is C10H6Cl2N4.
What is the molecular weight of 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-?
The molecular weight of 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- is 252.00 g/mol.
Where can I buy 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-?
You can request a quote for 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- 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-amino-1-(2,4-dichlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.