1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol
TL;DR: 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol (CAS 418804-55-4) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one
Also Known As: 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol, 2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one, 1-(4-nitrophenyl)-3-propylpyrazol-5-ol, 1H-pyrazol-5-ol, 1-(4-nitrophenyl)-3-propyl-, Cambridge id 5630013
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.0263 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 610.24304 |
Chemical Identifiers
| CAS Number | 418804-55-4 |
|---|---|
| SMILES | CCCC1=CC(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol (CAS 418804-55-4), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol
Property Insights of 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol
The XLogP value of 2.0263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)-3-propyl-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 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol?
The CAS number of 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol is 418804-55-4.
What is the molecular formula of 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol?
The molecular formula of 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol is C12H13N3O3.
What is the molecular weight of 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol?
The molecular weight of 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol is 247.10 g/mol.
Where can I buy 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol?
You can request a quote for 1-(4-nitrophenyl)-3-propyl-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 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.