3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid
TL;DR: 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid (CAS 512809-73-3) 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.
(E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid
Also Known As: (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acrylic acid, 3-(1,5-dimethyl-1H-pyrazol-4-yl)acrylic acid, 3-(1,5-dimethyl-1h-pyrazol-4-yl)-acrylic acid, (E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.82632 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 325.7989 |
Chemical Identifiers
| CAS Number | 512809-73-3 |
|---|---|
| SMILES | CC1=C(C=NN1C)/C=C/C(=O)O |
Product Overview
3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid (CAS 512809-73-3), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: (E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid
Property Insights of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid
The XLogP value of 0.82632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid has 1 hydrogen bond donor(s) and 2 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-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid?
The CAS number of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid is 512809-73-3.
What is the molecular formula of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid?
The molecular formula of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid is C8H10N2O2.
What is the molecular weight of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid?
The molecular weight of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid is 166.07 g/mol.
Where can I buy 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid?
You can request a quote for 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic 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-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.