![3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile structure](/static/products/3792/379223-82-2.webp)
3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile
TL;DR: 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile (CAS 379223-82-2) is a chemical compound with molecular formula C13H12FN3O and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-fluorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]propanenitrile
Also Known As: 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile, CHEMBRDG-BB 5916300, CHEMBRDG-BB5916300, 3-(3-(4-Fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl)propanenitrile, IDI1_008217
| Molecular Formula | C13H12FN3O |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 2.09518 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.09644 |
| Heavy Atoms | 18 |
| Complexity | 568.91254 |
Chemical Identifiers
| CAS Number | 379223-82-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C=C2CO)CCC#N)F |
Product Overview
3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile (CAS 379223-82-2), with molecular formula C13H12FN3O and molecular weight 245.10 g/mol. IUPAC: 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]propanenitrile.
Chemical Property Profile of 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile
Property Insights of 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile
The XLogP value of 2.09518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-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-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile?
The CAS number of 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile is 379223-82-2.
What is the molecular formula of 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile?
The molecular formula of 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile is C13H12FN3O.
What is the molecular weight of 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile?
The molecular weight of 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile is 245.10 g/mol.
Where can I buy 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile?
You can request a quote for 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-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-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.