3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one
TL;DR: 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one (CAS 4702-91-4) is a chemical compound with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(4-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
Also Known As: Maybridge1_005739, DivK1c_002027, CDS1_000987, 3-METHYL-4-(4-NITROPHENYLAZO)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE, 5-methyl-4-[(4-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
| Molecular Formula | C16H13N5O3 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 3.4698 |
| Topological Polar Surface Area | 100.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.10184 |
| Heavy Atoms | 24 |
| Complexity | 830.5512 |
Chemical Identifiers
| CAS Number | 4702-91-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one (CAS 4702-91-4), with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol. IUPAC: 5-methyl-4-[(4-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one
Property Insights of 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one
The XLogP value of 3.4698 indicates that 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one. Following Lipinski's Rule of Five, 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one has 0 hydrogen bond donor(s) and 6 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 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one?
The CAS number of 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one is 4702-91-4.
What is the molecular formula of 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular formula of 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one is C16H13N5O3.
What is the molecular weight of 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular weight of 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one is 323.10 g/mol.
Where can I buy 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one?
You can request a quote for 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(4-nitrophenylazo)-1-phenyl-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.