![2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile structure](/static/products/375/375352-16-2.png)
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile
TL;DR: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile (CAS 375352-16-2) is a chemical compound with molecular formula C20H15N5O3 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile
Also Known As: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile, [(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile, 2-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile, 2-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(2-nitrophenyl)methyl]malononitrile, 2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile
| Molecular Formula | C20H15N5O3 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 3.17748 |
| Topological Polar Surface Area | 128.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.1175 |
| Heavy Atoms | 28 |
| Complexity | 1151.0323 |
Chemical Identifiers
| CAS Number | 375352-16-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3[N+](=O)[O-])C(C#N)C#N |
Product Overview
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile (CAS 375352-16-2), with molecular formula C20H15N5O3 and molecular weight 373.12 g/mol. IUPAC: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile
Property Insights of 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile
The XLogP value of 3.17748 indicates that 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile has 1 hydrogen bond donor(s) and 5 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-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile?
The CAS number of 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile is 375352-16-2.
What is the molecular formula of 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile?
The molecular formula of 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile is C20H15N5O3.
What is the molecular weight of 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile?
The molecular weight of 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile is 373.12 g/mol.
Where can I buy 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile?
You can request a quote for 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)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-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.