(5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
TL;DR: (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide (CAS 879457-07-5) is a chemical compound with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
Also Known As: (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide, N-(3,4-dimethylphenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide, N-(3,4-dimethylphenyl)-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide, (5E)-5-(4,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide, (5E)-5-(4,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C20H21N3O2 |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 4.26828 |
| Topological Polar Surface Area | 78.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.1634 |
| Heavy Atoms | 25 |
| Complexity | 957.57025 |
Chemical Identifiers
| CAS Number | 879457-07-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=NN2)C3=C(C(=C(C=C3)C)C)O)C |
Product Overview
(5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide (CAS 879457-07-5), with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol. IUPAC: N-(3,4-dimethylphenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.
Chemical Property Profile of (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
Property Insights of (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
The XLogP value of 4.26828 indicates that (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide. Following Lipinski's Rule of Five, (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide has 3 hydrogen bond donor(s) and 3 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 (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide?
The CAS number of (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide is 879457-07-5.
What is the molecular formula of (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide?
The molecular formula of (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide is C20H21N3O2.
What is the molecular weight of (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide?
The molecular weight of (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide is 335.16 g/mol.
Where can I buy (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide?
You can request a quote for (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.