![(E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide structure](/static/products/1321/1321974-88-2.webp)
(E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide
TL;DR: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide (CAS 1321974-88-2) is a chemical compound with molecular formula C16H13N5S and molecular weight 307.08917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide
Also Known As: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide
Technical Specifications
| Molecular Formula | C16H13N5S |
| Molecular Weight | 307.08917 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.08917 Da |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
| SMILES | C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=S)N)CCC#N |
| InChIKey | NXBPNRFVIPVWKB-UKTHLTGXSA-N |
Chemical Property Profile of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide
Property Insights of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide?
The CAS number of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide is 1321974-88-2.
What is the molecular formula of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide?
The molecular formula of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide is C16H13N5S.
What is the molecular weight of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide?
The molecular weight of (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide is 307.08917 g/mol.
Where can I buy (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide?
You can request a quote for (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide?
Yes, CoreyChem provides custom synthesis services for (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.