3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile
TL;DR: 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile (CAS 56054-50-3) is a chemical compound with molecular formula C12H12N4 and molecular weight 212.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-amino-3-phenylpyrazol-1-yl)propanenitrile
Also Known As: Maybridge3_000950, 3-(5-amino-3-phenylpyrazol-1-yl)propanenitrile, 3-(5-amino-3-phenyl-pyrazol-1-yl)-propionitrile, IDI1_012337, 3-(5-amino-3-phenyl-1H-pyrazol-1-yl)propanenitrile
| Molecular Formula | C12H12N4 |
|---|---|
| Molecular Weight | 212.11 g/mol |
| LogP | 2.04598 |
| Topological Polar Surface Area | 67.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.1062 |
| Heavy Atoms | 16 |
| Complexity | 507.56018 |
Chemical Identifiers
| CAS Number | 56054-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=C2)N)CCC#N |
Product Overview
3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile (CAS 56054-50-3), with molecular formula C12H12N4 and molecular weight 212.11 g/mol. IUPAC: 3-(5-amino-3-phenylpyrazol-1-yl)propanenitrile.
Chemical Property Profile of 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile
Property Insights of 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile
The XLogP value of 2.04598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile. The TPSA of 67.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile 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 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile?
The CAS number of 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile is 56054-50-3.
What is the molecular formula of 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile?
The molecular formula of 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile is C12H12N4.
What is the molecular weight of 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile?
The molecular weight of 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile is 212.11 g/mol.
Where can I buy 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile?
You can request a quote for 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Amino-3-phenylpyrazol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.