1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-
TL;DR: 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- (CAS 94427-97-1) is a chemical compound with molecular formula C11H7N5 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-phenylpyrazole-3,4-dicarbonitrile
Also Known As: 5-Amino-1-phenyl-1H-pyrazole-3,4-dicarbonitrile, 5-amino-1-phenylpyrazole-3,4-dicarbonitrile, 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-, BAS 12630718, RefChem:239879
| Molecular Formula | C11H7N5 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.07014 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 94427-97-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=N2)C#N)C#N)N |
| InChIKey | MGULYLNXXBGXJR-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- (CAS 94427-97-1), with molecular formula C11H7N5 and molecular weight 209.07 g/mol. IUPAC: 5-amino-1-phenylpyrazole-3,4-dicarbonitrile.
Chemical Property Profile of 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-
Property Insights of 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-. Following Lipinski's Rule of Five, 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- 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 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-?
The CAS number of 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- is 94427-97-1.
What is the molecular formula of 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-?
The molecular formula of 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- is C11H7N5.
What is the molecular weight of 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-?
The molecular weight of 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- is 209.07 g/mol.
Where can I buy 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-?
You can request a quote for 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.