5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile (CAS 51516-67-7) is a chemical compound with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile
Also Known As: 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile, Maybridge1_001852, 5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile, SDCCGMLS-0065863.P001, J2.532.995C
| Molecular Formula | C10H7ClN4 |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.03592 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 51516-67-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Cl |
| InChIKey | WIWSALMJHPGFDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile (CAS 51516-67-7), with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol. IUPAC: 5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile 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 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile is 51516-67-7.
What is the molecular formula of 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile is C10H7ClN4.
What is the molecular weight of 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile is 218.04 g/mol.
Where can I buy 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-Amino-1-(4-chlorophenyl)-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-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.