3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole
TL;DR: 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole (CAS 5920-38-7) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-1-(4-nitrophenyl)-4H-pyrazole
Also Known As: 3,5,5-trimethyl-1-(4-nitrophenyl)-4H-pyrazole, 3,5,5-trimethyl-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole, 3,5,5-TRIMETHYL-1-(4-NITRO-PHENYL)-4,5-DIHYDRO-1H-PYRAZOLE, 684-640-1, RefChem:486453
| Molecular Formula | C12H15N3O2 |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 2.9594 |
| Topological Polar Surface Area | 58.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.11642 |
| Heavy Atoms | 17 |
| Complexity | 477.02905 |
Chemical Identifiers
| CAS Number | 5920-38-7 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole (CAS 5920-38-7), with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol. IUPAC: 3,5,5-trimethyl-1-(4-nitrophenyl)-4H-pyrazole.
Chemical Property Profile of 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole
Property Insights of 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole
The XLogP value of 2.9594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole. With a topological polar surface area (TPSA) of 58.74 Ų, 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole has 0 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 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole?
The CAS number of 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole is 5920-38-7.
What is the molecular formula of 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole?
The molecular formula of 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole is C12H15N3O2.
What is the molecular weight of 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole?
The molecular weight of 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole is 233.12 g/mol.
Where can I buy 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole?
You can request a quote for 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethyl-1-(4-nitro-phenyl)-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.