5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester
TL;DR: 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester (CAS 1029106-93-1) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(3-aminophenyl)-1H-pyrazole-5-carboxylate
Also Known As: Methyl 5-(3-aminophenyl)-1H-pyrazole-3-carboxylate, 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester, methyl 3-(3-aminophenyl)-1H-pyrazole-5-carboxylate, 3-[3-(Methoxycarbonyl)-1H-pyrazol-5-yl]aniline, X-4480
Technical Specifications
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.08513 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | COC(=O)C1=CC(=NN1)C2=CC(=CC=C2)N |
| InChIKey | SJUBOEHIQCIKMG-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester
Property Insights of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester 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
What is the CAS number of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester?
The CAS number of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester is 1029106-93-1.
What is the molecular formula of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular formula of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester is C11H11N3O2.
What is the molecular weight of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular weight of 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester is 217.08513 g/mol.
Where can I buy 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester?
You can request a quote for 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 5-(3-Amino-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.