3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid (CAS 946785-80-4) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acrylic acid, 3-(1,5-dimethyl-1H-pyrazol-4-yl)acrylic acid, 4-(4-BENZYLPHENOXY)-3-FLUOROANILINE, Propenoic acid, 3-(1,5-dimethyl-4-pyrazolyl)-
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 946785-80-4 |
|---|---|
| SMILES | CC1=C(C=NN1C)C=CC(=O)O |
| InChIKey | CBOKTROFJZJRKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid (CAS 946785-80-4), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: 3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,5-Dimethylpyrazol-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-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid is 946785-80-4.
What is the molecular formula of 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid is C8H10N2O2.
What is the molecular weight of 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid is 166.07 g/mol.
Where can I buy 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(1,5-Dimethylpyrazol-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-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,5-Dimethylpyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.