(4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
TL;DR: (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile (CAS 727662-18-2) is a chemical compound with molecular formula C14H16FN3 and molecular weight 245.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
Also Known As: (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile, AS-662/43471466, 2-(4-fluorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile, A3728/0157989, (4-FLUOROPHENYL)(3,5,5-TRIMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)METHYL CYANIDE
| Molecular Formula | C14H16FN3 |
|---|---|
| Molecular Weight | 245.13 g/mol |
| LogP | 3.25058 |
| Topological Polar Surface Area | 39.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.13283 |
| Heavy Atoms | 18 |
| Complexity | 510.8358 |
Chemical Identifiers
| CAS Number | 727662-18-2 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)C(C#N)C2=CC=C(C=C2)F |
Product Overview
(4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile (CAS 727662-18-2), with molecular formula C14H16FN3 and molecular weight 245.13 g/mol. IUPAC: 2-(4-fluorophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.
Chemical Property Profile of (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
Property Insights of (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
The XLogP value of 3.25058 indicates that (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-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, (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-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 (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile?
The CAS number of (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile is 727662-18-2.
What is the molecular formula of (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile?
The molecular formula of (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile is C14H16FN3.
What is the molecular weight of (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile?
The molecular weight of (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile is 245.13 g/mol.
Where can I buy (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile?
You can request a quote for (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-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 (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.