1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
TL;DR: 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid (CAS 905589-98-2) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-phenylpyrazole-4-carboxylic acid
Also Known As: 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid, 1-benzyl-3-phenylpyrazole-4-carboxylic acid, 1-benzyl-3-phenyl-pyrazole-4-carboxylic Acid, 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylicacid, 863-160-8
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.2966 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 748.976 |
Chemical Identifiers
| CAS Number | 905589-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)O |
Product Overview
1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid (CAS 905589-98-2), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 1-benzyl-3-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
Property Insights of 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 3.2966 indicates that 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic 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 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid is 905589-98-2.
What is the molecular formula of 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid is C17H14N2O2.
What is the molecular weight of 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid is 278.11 g/mol.
Where can I buy 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.