![[(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile structure](/static/products/300/300838-79-3.png)
[(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile
TL;DR: [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile (CAS 300838-79-3) is a chemical compound with molecular formula C16H16N4O and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
Also Known As: BAS 07415751, J2.583.779G, A2152/0090373, 2-[(4-ETHYLPHENYL)(5-HYDROXY-3-METHYL-1H-PYRAZOL-4-YL)METHYL]PROPANEDINITRILE, 2-((4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)malononitrile
| Molecular Formula | C16H16N4O |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 2.36908 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.13242 |
| Heavy Atoms | 21 |
| Complexity | 741.3003 |
Chemical Identifiers
| CAS Number | 300838-79-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C(C#N)C#N |
Product Overview
[(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile (CAS 300838-79-3), with molecular formula C16H16N4O and molecular weight 280.13 g/mol. IUPAC: 2-[(4-ethylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile
Property Insights of [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile
The XLogP value of 2.36908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile. Following Lipinski's Rule of Five, [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile has 2 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-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile?
The CAS number of [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile is 300838-79-3.
What is the molecular formula of [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile?
The molecular formula of [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile is C16H16N4O.
What is the molecular weight of [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile?
The molecular weight of [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile is 280.13 g/mol.
Where can I buy [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile?
You can request a quote for [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(4-ethylphenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.