![3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile structure](/static/products/3548/354818-33-0.webp)
3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile
TL;DR: 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile (CAS 354818-33-0) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile
Also Known As: BAS 00665407, 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile, 3-[5-hydroxy-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]propanenitrile, 3-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile, 3-[5-hydroxy-3-(4-methoxyphenyl)pyrazolyl]propanenitrile
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 1.76568 |
| Topological Polar Surface Area | 70.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 616.92126 |
Chemical Identifiers
| CAS Number | 354818-33-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)N(N2)CCC#N |
Product Overview
3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile (CAS 354818-33-0), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 3-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile.
Chemical Property Profile of 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile
Property Insights of 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile
The XLogP value of 1.76568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile. The TPSA of 70.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile. Following Lipinski's Rule of Five, 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile 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-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile?
The CAS number of 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile is 354818-33-0.
What is the molecular formula of 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile?
The molecular formula of 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile is C13H13N3O2.
What is the molecular weight of 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile?
The molecular weight of 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile is 243.10 g/mol.
Where can I buy 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile?
You can request a quote for 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-Hydroxy-3-(4-methoxy-phenyl)-pyrazol-1-yl]-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.