(4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one
TL;DR: (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one (CAS 78431-20-6) is a chemical compound with molecular formula C11H12N4O and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-phenyldiazenyl-1H-pyrazol-3-one
Also Known As: 1,3-dimethyl-4-phenyl-5-aminopyrazole, (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one, (4E)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one, 2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one, 1,3-dimethyl-5-oxo-4-phenyldiazenyl-1,2-diazacyclopent-3-ene
| Molecular Formula | C11H12N4O |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.1011 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 78431-20-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C)N=NC2=CC=CC=C2 |
| InChIKey | DHSWZPGLZLZQQN-UHFFFAOYSA-N |
Product Overview
(4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one (CAS 78431-20-6), with molecular formula C11H12N4O and molecular weight 216.10 g/mol. IUPAC: 2,5-dimethyl-4-phenyldiazenyl-1H-pyrazol-3-one.
Chemical Property Profile of (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one
Property Insights of (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one. With a topological polar surface area (TPSA) of 57.1 Ų, (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one 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 (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one?
The CAS number of (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one is 78431-20-6.
What is the molecular formula of (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one?
The molecular formula of (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one is C11H12N4O.
What is the molecular weight of (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one?
The molecular weight of (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one is 216.10 g/mol.
Where can I buy (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one?
You can request a quote for (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2,5-dimethyl-4-(phenylhydrazinylidene)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.