methyl]malononitrile structure](/static/products/314/314761-60-9.png)
[[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile
TL;DR: [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile (CAS 314761-60-9) is a chemical compound with molecular formula C23H17N5OS and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile
Also Known As: [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile, {[3-methyl-5-oxo-1-(4-phenyl(1,3-thiazol-2-yl))(2-pyrazolin-4-yl)]phenylmethyl }methane-1,1-dicarbonitrile, {[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl}propanedinitrile, 2-[[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile
| Molecular Formula | C23H17N5OS |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 4.59596 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1154 |
| Heavy Atoms | 30 |
| Complexity | 1159.5526 |
Chemical Identifiers
| CAS Number | 314761-60-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)C3=NC(=CS3)C4=CC=CC=C4 |
Product Overview
[[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile (CAS 314761-60-9), with molecular formula C23H17N5OS and molecular weight 411.12 g/mol. IUPAC: 2-[[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile.
Chemical Property Profile of [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile
Property Insights of [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile
The XLogP value of 4.59596 indicates that [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile. Following Lipinski's Rule of Five, [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile has 0 hydrogen bond donor(s) and 6 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-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile?
The CAS number of [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile is 314761-60-9.
What is the molecular formula of [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile?
The molecular formula of [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile is C23H17N5OS.
What is the molecular weight of [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile?
The molecular weight of [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile is 411.12 g/mol.
Where can I buy [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile?
You can request a quote for [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for [[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.