(E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
TL;DR: (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid (CAS 1006492-24-5) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
Also Known As: (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid, 2-cyano-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid, (2E)-2-cyano-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acrylic acid, (2E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enoic acid, 2-Cyano-3-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)acrylic acid
Technical Specifications
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.10077 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.10077 Da |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\C#N)/C(=O)O |
| InChIKey | HIDLBQLEFFEYGZ-XYOKQWHBSA-N |
Chemical Property Profile of (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
Property Insights of (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid 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-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The CAS number of (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is 1006492-24-5.
What is the molecular formula of (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The molecular formula of (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is C15H13N3O2.
What is the molecular weight of (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
The molecular weight of (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid is 267.10077 g/mol.
Where can I buy (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
You can request a quote for (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.