![2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile structure](/static/products/7628/76281-02-2.webp)
2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile
TL;DR: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile (CAS 76281-02-2) is a chemical compound with molecular formula C20H16N4O and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile
Also Known As: ChemDiv1_027273, BIM-0029646.P001, 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile, [(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile, 2-((3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl)malononitrile
| Molecular Formula | C20H16N4O |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 3.47246 |
| Topological Polar Surface Area | 80.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.13242 |
| Heavy Atoms | 25 |
| Complexity | 863.40735 |
Chemical Identifiers
| CAS Number | 76281-02-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)C3=CC=CC=C3 |
Product Overview
2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile (CAS 76281-02-2), with molecular formula C20H16N4O and molecular weight 328.13 g/mol. IUPAC: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile.
Chemical Property Profile of 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile
Property Insights of 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile
The XLogP value of 3.47246 indicates that 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile 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 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile?
The CAS number of 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile is 76281-02-2.
What is the molecular formula of 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile?
The molecular formula of 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile is C20H16N4O.
What is the molecular weight of 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile?
The molecular weight of 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile is 328.13 g/mol.
Where can I buy 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile?
You can request a quote for 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.