5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one (CAS 57134-90-4) is a chemical compound with molecular formula C18H17N3O and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(4-methylphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00280359, 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-3-methyl-4-{[(4-methylphenyl)amino]methylidene}-1-phenyl-4,5-dihydro-1H-pyrazol-5-one, 1C-080, 5-methyl-4-[(4-methylphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
| Molecular Formula | C18H17N3O |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 3.53304 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.13718 |
| Heavy Atoms | 22 |
| Complexity | 855.59796 |
Chemical Identifiers
| CAS Number | 57134-90-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C |
Product Overview
5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one (CAS 57134-90-4), with molecular formula C18H17N3O and molecular weight 291.14 g/mol. IUPAC: 5-methyl-4-[(4-methylphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.53304 indicates that 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 2 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 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one is 57134-90-4.
What is the molecular formula of 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one is C18H17N3O.
What is the molecular weight of 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one is 291.14 g/mol.
Where can I buy 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-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 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-phenyl-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.