(5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
TL;DR: (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide (CAS 879441-28-8) is a chemical compound with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
Also Known As: (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, 5-(2-Hydroxy-5-methyl-phenyl)-2H-pyrazole-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide, N-(1,3-benzodioxol-5-ylmethyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide, (5E)-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-N-piperonyl-3-pyrazoline-3-carboxamide
| Molecular Formula | C19H17N3O4 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 2.74942 |
| Topological Polar Surface Area | 96.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.12192 |
| Heavy Atoms | 26 |
| Complexity | 980.66565 |
Chemical Identifiers
| CAS Number | 879441-28-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C2=NNC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
(5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide (CAS 879441-28-8), with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide.
Chemical Property Profile of (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
Property Insights of (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
The XLogP value of 2.74942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide. The TPSA of 96.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide. Following Lipinski's Rule of Five, (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide has 3 hydrogen bond donor(s) and 5 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-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
The CAS number of (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide is 879441-28-8.
What is the molecular formula of (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
The molecular formula of (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide is C19H17N3O4.
What is the molecular weight of (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
The molecular weight of (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide is 351.12 g/mol.
Where can I buy (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
You can request a quote for (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-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-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methyl-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.