5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile
TL;DR: 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile (CAS 59777-72-9) is a chemical compound with molecular formula C11H10N4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
Also Known As: 5-amino-3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile, 5-Amino-3-(Methylsulfanyl)-1-Phenyl-1h-Pyrazole-4-Carbonitrile, Maybridge1_004867, SDCCGMLS-0066143.P001, 5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
| Molecular Formula | C11H10N4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06262 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 59777-72-9 |
|---|---|
| SMILES | CSC1=NN(C(=C1C#N)N)C2=CC=CC=C2 |
| InChIKey | IIOQJYJHSDCILE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile (CAS 59777-72-9), with molecular formula C11H10N4S and molecular weight 230.06 g/mol. IUPAC: 5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Property Insights of 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 4 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-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile?
The CAS number of 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile is 59777-72-9.
What is the molecular formula of 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile is C11H10N4S.
What is the molecular weight of 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile is 230.06 g/mol.
Where can I buy 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-Amino-3-(methylsulfanyl)-1-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-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.