3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid (CAS 512809-25-5) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)acrylic acid, 3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoic acid, 3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid, Propenoic acid, 3-(1-ethyl-5-methyl-4-pyrazolyl)-, (2E)-3-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-ACRYLIC ACID
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 512809-25-5 |
|---|---|
| SMILES | CCN1C(=C(C=N1)C=CC(=O)O)C |
| InChIKey | YUDAQQKQCULJEW-UHFFFAOYSA-N |
Product Overview
3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid (CAS 512809-25-5), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid 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 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid is 512809-25-5.
What is the molecular formula of 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid is C9H12N2O2.
What is the molecular weight of 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid is 180.09 g/mol.
Where can I buy 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Ethyl-5-methyl-pyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.