![2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile structure](/static/products/896/89607-56-7.png)
2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
TL;DR: 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile (CAS 89607-56-7) is a chemical compound with molecular formula C14H11ClN4O and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
Also Known As: 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile, 2-[(4-chlorophenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]malononitrile, [(4-chlorophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile, 2-((4-chlorophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl)malononitrile, 2-[(4-Chloro-phenyl)-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-methyl]-malononitrile
| Molecular Formula | C14H11ClN4O |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.20886 |
| Topological Polar Surface Area | 89.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.06213 |
| Heavy Atoms | 20 |
| Complexity | 624.6231 |
Chemical Identifiers
| CAS Number | 89607-56-7 |
|---|---|
| SMILES | CC1=NNC(=O)C1C(C2=CC=C(C=C2)Cl)C(C#N)C#N |
Product Overview
2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile (CAS 89607-56-7), with molecular formula C14H11ClN4O and molecular weight 286.06 g/mol. IUPAC: 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
Property Insights of 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
The XLogP value of 2.20886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile. The TPSA of 89.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile has 1 hydrogen bond donor(s) and 4 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 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
The CAS number of 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile is 89607-56-7.
What is the molecular formula of 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
The molecular formula of 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile is C14H11ClN4O.
What is the molecular weight of 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
The molecular weight of 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile is 286.06 g/mol.
Where can I buy 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
You can request a quote for 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-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 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.