![3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole structure](/static/products/5218/52182-88-4.webp)
3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole
TL;DR: 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole (CAS 52182-88-4) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-[(2-nitrophenyl)methylidene]pyrazole
Also Known As: 3,5-dimethyl-4-[(2-nitrophenyl)methylidene]pyrazole, 3,5-dimethyl-4-(2-nitro-benzylidene)-4H-pyrazole, 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole, 4H-PYRAZOLE,3,5-DIMETHYL-4-[(2-NITROPHENYL)METHYLENE]-
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 52182-88-4 |
|---|---|
| SMILES | CC1=NN=C(C1=CC2=CC=CC=C2[N+](=O)[O-])C |
| InChIKey | KUIGAWURIBZCFH-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole (CAS 52182-88-4), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 3,5-dimethyl-4-[(2-nitrophenyl)methylidene]pyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole
Property Insights of 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-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-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole?
The CAS number of 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole is 52182-88-4.
What is the molecular formula of 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole?
The molecular formula of 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole is C12H11N3O2.
What is the molecular weight of 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole?
The molecular weight of 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole is 229.09 g/mol.
Where can I buy 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole?
You can request a quote for 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-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-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.