3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile
TL;DR: 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile (CAS 197303-31-4) is a chemical compound with molecular formula C20H16N4O3 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile, (Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile, 4-[2-cyano-2-(4-nitrophenyl)eth-1-en-1-yl]-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carbonitrile
| Molecular Formula | C20H16N4O3 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 3.4568 |
| Topological Polar Surface Area | 93.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.12225 |
| Heavy Atoms | 27 |
| Complexity | 1130.9553 |
Chemical Identifiers
| CAS Number | 197303-31-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C(\C#N)/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile (CAS 197303-31-4), with molecular formula C20H16N4O3 and molecular weight 360.12 g/mol. IUPAC: (Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile
Property Insights of 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile
The XLogP value of 3.4568 indicates that 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile. Following Lipinski's Rule of Five, 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile has 0 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 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile?
The CAS number of 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile is 197303-31-4.
What is the molecular formula of 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile?
The molecular formula of 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile is C20H16N4O3.
What is the molecular weight of 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile?
The molecular weight of 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile is 360.12 g/mol.
Where can I buy 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile?
You can request a quote for 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.