3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol
TL;DR: 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol (CAS 52944-72-6) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-2-phenyl-1H-pyrazol-3-one
Also Known As: SDCCGMLS-0065204.P001, 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol, 5-methyl-4-nitro-2-phenyl-1H-pyrazol-3-one, BAS 05882208, BB 0258012
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.38222 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 583.10187 |
Chemical Identifiers
| CAS Number | 52944-72-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol (CAS 52944-72-6), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 5-methyl-4-nitro-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol
Property Insights of 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol
The XLogP value of 1.38222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 3 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-nitro-1-phenyl-1H-pyrazol-5-ol?
The CAS number of 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol is 52944-72-6.
What is the molecular formula of 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol?
The molecular formula of 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol is C10H9N3O3.
What is the molecular weight of 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol?
The molecular weight of 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol is 219.06 g/mol.
Where can I buy 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol?
You can request a quote for 3-methyl-4-nitro-1-phenyl-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-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.