3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol
TL;DR: 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol (CAS 428839-06-9) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol, BAS 03058326, 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one, 5-(4-Methoxy-phenyl)-2-(4-nitro-phenyl)-2H-pyrazol-3-ol, 3-(4-methoxyphenyl)-1-(4-nitrophenyl)pyrazol-5-ol
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 428839-06-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | JOVRGUDJBLTHAM-UHFFFAOYSA-N |
Product Overview
3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol (CAS 428839-06-9), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol
Property Insights of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol 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 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol?
The CAS number of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol is 428839-06-9.
What is the molecular formula of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol?
The molecular formula of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol is C16H13N3O4.
What is the molecular weight of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol?
The molecular weight of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol is 311.09 g/mol.
Where can I buy 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol?
You can request a quote for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.