4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 332390-96-2) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, BAS 01577847, BIM-0007560.P001, F0714-0032, 4-[5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 3.44572 |
| Topological Polar Surface Area | 113.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 952.5684 |
Chemical Identifiers
| CAS Number | 332390-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)O |
Product Overview
4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 332390-96-2), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: 4-[5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
The XLogP value of 3.44572 indicates that 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid has 1 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 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 332390-96-2.
What is the molecular formula of 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is C20H19N3O5.
What is the molecular weight of 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 381.13 g/mol.
Where can I buy 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(3-nitrophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.