(5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
TL;DR: (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide (CAS 879442-87-2) is a chemical compound with molecular formula C19H18ClN3O3 and molecular weight 371.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
Also Known As: (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, N-(3-chloro-4-methoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide, N-(3-chloro-4-methoxyphenyl)-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide, (5E)-N-(3-chloranyl-4-methoxy-phenyl)-5-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, (5E)-N-(3-chloro-4-methoxy-phenyl)-5-(6-keto-3,5-dimethyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide
| Molecular Formula | C19H18ClN3O3 |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.10367 |
| Heavy Atoms | 26 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 879442-87-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C2=NNC(=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl)O)C |
| InChIKey | WIAJUICAOMLLJG-UHFFFAOYSA-N |
Product Overview
(5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide (CAS 879442-87-2), with molecular formula C19H18ClN3O3 and molecular weight 371.10 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide.
Chemical Property Profile of (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
Property Insights of (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
The XLogP value of 4.0 indicates that (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide. Following Lipinski's Rule of Five, (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide has 3 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 (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
The CAS number of (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide is 879442-87-2.
What is the molecular formula of (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
The molecular formula of (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide is C19H18ClN3O3.
What is the molecular weight of (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
The molecular weight of (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide is 371.10 g/mol.
Where can I buy (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
You can request a quote for (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-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)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (5E)-N-(3-chloro-4-methoxyphenyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.