2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
TL;DR: 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid (CAS 298684-24-9) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-amino-3-methylpyrazol-1-yl)benzoic acid
Also Known As: ChemDiv3_006683, 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid, 2-(5-Amino-3-methyl-pyrazol-1-yl)-benzoic acid, CHEMBRDG-BB 5808766, 2-(5-amino-3-methylpyrazol-1-yl)benzoic acid
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 298684-24-9 |
|---|---|
| SMILES | CC1=NN(C(=C1)N)C2=CC=CC=C2C(=O)O |
| InChIKey | WJJZUIGBRUXITD-UHFFFAOYSA-N |
Product Overview
2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid (CAS 298684-24-9), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 2-(5-amino-3-methylpyrazol-1-yl)benzoic acid.
Chemical Property Profile of 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
Property Insights of 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid is 298684-24-9.
What is the molecular formula of 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid is C11H11N3O2.
What is the molecular weight of 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid is 217.09 g/mol.
Where can I buy 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.