2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile
TL;DR: 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile (CAS 51412-23-8) is a chemical compound with molecular formula C11H9N3 and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenylpyrazol-4-yl)acetonitrile
Also Known As: 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile, (1-phenyl-1H-pyrazol-4-yl)acetonitrile, 2-Heptanol,1-amino, 2-(1-phenylpyrazol-4-yl)acetonitrile, 1-phenyl-4-pyrazolylacetonitrile
| Molecular Formula | C11H9N3 |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 1.93838 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.07965 |
| Heavy Atoms | 14 |
| Complexity | 450.88492 |
Chemical Identifiers
| CAS Number | 51412-23-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C=N2)CC#N |
Product Overview
2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile (CAS 51412-23-8), with molecular formula C11H9N3 and molecular weight 183.08 g/mol. IUPAC: 2-(1-phenylpyrazol-4-yl)acetonitrile.
Chemical Property Profile of 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile
Property Insights of 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile
The XLogP value of 1.93838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 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 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile?
The CAS number of 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile is 51412-23-8.
What is the molecular formula of 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile?
The molecular formula of 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile is C11H9N3.
What is the molecular weight of 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile?
The molecular weight of 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile is 183.08 g/mol.
Where can I buy 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile?
You can request a quote for 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.