3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-
TL;DR: 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- (CAS 54945-13-0) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-1,4-dihydropyrazol-5-one
Also Known As: 3-(4-nitrophenyl)-1,4-dihydropyrazol-5-one, 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-, 3-(4-Nitrophenyl)-1H-pyrazol-5(4H)-one, Pyrazol-5(4H)-one,3-(4-nitrophenyl), Pyrazol-5(4H)-one, 3-(4-nitrophenyl)-
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 54945-13-0 |
|---|---|
| SMILES | C1C(=NNC1=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JKHLBOGGRVDLGP-UHFFFAOYSA-N |
Product Overview
3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- (CAS 54945-13-0), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 3-(4-nitrophenyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-
Property Insights of 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- has 1 hydrogen bond donor(s) and 4 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 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-?
The CAS number of 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- is 54945-13-0.
What is the molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-?
The molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- is C9H7N3O3.
What is the molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-?
The molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- is 205.05 g/mol.
Where can I buy 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-?
You can request a quote for 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.