2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
TL;DR: 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (CAS 89969-65-3) is a chemical compound with molecular formula C14H17N3 and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
Also Known As: BAS 04396433, 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile, phenyl(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile, AE-848/06146031, Phenyl-(3,5,5-trimethyl-4,5-dihydro-pyrazol-1-yl)-acetonitrile
| Molecular Formula | C14H17N3 |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | 3.11148 |
| Topological Polar Surface Area | 39.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.14224 |
| Heavy Atoms | 17 |
| Complexity | 467.99072 |
Chemical Identifiers
| CAS Number | 89969-65-3 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)C(C#N)C2=CC=CC=C2 |
Product Overview
2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (CAS 89969-65-3), with molecular formula C14H17N3 and molecular weight 227.14 g/mol. IUPAC: 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.
Chemical Property Profile of 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
Property Insights of 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
The XLogP value of 3.11148 indicates that 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.39 Ų, 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile has 0 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 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The CAS number of 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is 89969-65-3.
What is the molecular formula of 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The molecular formula of 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is C14H17N3.
What is the molecular weight of 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The molecular weight of 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is 227.14 g/mol.
Where can I buy 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
You can request a quote for 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-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-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.