2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide
TL;DR: 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide (CAS 522622-01-1) is a chemical compound with molecular formula C17H18N4O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylethyl)prop-2-enamide
Also Known As: 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide, (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylethyl)prop-2-enamide, (E)-2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-phenethylacrylamide, (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-phenethylprop-2-enamide, (2E)-2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)prop-2-enamide
| Molecular Formula | C17H18N4O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 1.9944 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.14807 |
| Heavy Atoms | 22 |
| Complexity | 722.86237 |
Chemical Identifiers
| CAS Number | 522622-01-1 |
|---|---|
| SMILES | CC1=NN(C=C1/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)C |
Product Overview
2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide (CAS 522622-01-1), with molecular formula C17H18N4O and molecular weight 294.15 g/mol. IUPAC: (E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylethyl)prop-2-enamide.
Chemical Property Profile of 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide
Property Insights of 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide
The XLogP value of 1.9944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide. Following Lipinski's Rule of Five, 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide has 1 hydrogen bond donor(s) and 3 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-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide?
The CAS number of 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide is 522622-01-1.
What is the molecular formula of 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide?
The molecular formula of 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide is C17H18N4O.
What is the molecular weight of 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide?
The molecular weight of 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide is 294.15 g/mol.
Where can I buy 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide?
You can request a quote for 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.