5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid
TL;DR: 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid (CAS 100517-95-1) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-amino-4-carbamoyl-1-phenylpyrazol-3-yl)acetic acid
Also Known As: J2.499.913K, 2-(5-amino-4-carbamoyl-1-phenyl-1H-pyrazol-3-yl)acetic acid, 1-Phenyl-4-carbamoyl-5-amino-1H-pyrazole-3-acetic acid, 2-(5-amino-4-carbamoyl-1-phenyl-pyrazol-3-yl)acetic acid, 2-(5-amino-4-carbamoyl-1-phenylpyrazol-3-yl)acetic acid
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 100517-95-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=N2)CC(=O)O)C(=O)N)N |
| InChIKey | VNLLCIKBLNZQBO-UHFFFAOYSA-N |
Product Overview
5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid (CAS 100517-95-1), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: 2-(5-amino-4-carbamoyl-1-phenylpyrazol-3-yl)acetic acid.
Chemical Property Profile of 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid
Property Insights of 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid. Following Lipinski's Rule of Five, 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid has 3 hydrogen bond donor(s) and 5 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 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid?
The CAS number of 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid is 100517-95-1.
What is the molecular formula of 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid?
The molecular formula of 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid is C12H12N4O3.
What is the molecular weight of 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid?
The molecular weight of 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid is 260.09 g/mol.
Where can I buy 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid?
You can request a quote for 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-(aminocarbonyl)-1-phenyl-1H-pyrazole-3-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.