![(2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid structure](/static/products/1006/1006443-87-3.webp)
(2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid
TL;DR: (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid (CAS 1006443-87-3) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid
Also Known As: (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid, 3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid, (2E)-3-[1-(1-isopropyl-1H-pyrazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylic acid, (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid, 3-(1-(1-Isopropyl-1h-pyrazol-5-yl)-2,5-dimethyl-1h-pyrrol-3-yl)acrylic acid
| Molecular Formula | C15H19N3O2 |
|---|---|
| Molecular Weight | 273.15 g/mol |
| LogP | 2.96934 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.14774 |
| Heavy Atoms | 20 |
| Complexity | 662.71173 |
Chemical Identifiers
| CAS Number | 1006443-87-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C/C(=O)O |
Product Overview
(2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid (CAS 1006443-87-3), with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol. IUPAC: (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid
Property Insights of (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid
The XLogP value of 2.96934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic 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 (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid?
The CAS number of (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid is 1006443-87-3.
What is the molecular formula of (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid?
The molecular formula of (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid is C15H19N3O2.
What is the molecular weight of (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid?
The molecular weight of (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid is 273.15 g/mol.
Where can I buy (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid?
You can request a quote for (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-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 (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{2,5-dimethyl-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1H-pyrrol-3-yl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.