![3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile structure](/static/products/3853/385382-41-2.webp)
3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile
TL;DR: 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile (CAS 385382-41-2) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]propanenitrile
Also Known As: 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile, 3-(5-Hydroxy-3-methyl-1-(p-tolyl)-1H-pyrazol-4-yl)propanenitrile, 3-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]propanenitrile, AH-487/41280532, 1H-pyrazole-4-propanenitrile, 5-hydroxy-3-methyl-1-(4-methylphenyl)-
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 385382-41-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)CCC#N |
| InChIKey | WPHQEBRQPSXLME-UHFFFAOYSA-N |
Product Overview
3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile (CAS 385382-41-2), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: 3-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]propanenitrile.
Chemical Property Profile of 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile
Property Insights of 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-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-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile?
The CAS number of 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile is 385382-41-2.
What is the molecular formula of 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile?
The molecular formula of 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile is C14H15N3O.
What is the molecular weight of 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile?
The molecular weight of 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile is 241.12 g/mol.
Where can I buy 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile?
You can request a quote for 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-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-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.