4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
TL;DR: 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 73031-64-8) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-amino-3,4-dihydropyrazol-2-yl)benzoic acid
Also Known As: 4-(5-amino-3,4-dihydropyrazol-2-yl)benzoic acid, 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, Benzoicacid, 4-(3-amino-4,5-dihydro-1H-pyrazol-1-yl)-
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 73031-64-8 |
|---|---|
| SMILES | C1CN(N=C1N)C2=CC=C(C=C2)C(=O)O |
| InChIKey | VZJGCGWZTIYOML-UHFFFAOYSA-N |
Product Overview
4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 73031-64-8), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 4-(5-amino-3,4-dihydropyrazol-2-yl)benzoic acid.
Chemical Property Profile of 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Property Insights of 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Amino-4,5-dihydro-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 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 73031-64-8.
What is the molecular formula of 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is C10H11N3O2.
What is the molecular weight of 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 205.09 g/mol.
Where can I buy 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 4-(3-Amino-4,5-dihydro-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 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Amino-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.