N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
TL;DR: N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CAS 514799-80-5) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
Also Known As: N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide, N-(6-acetylbenzo[1,3]dioxol-5-yl)-1,3,5-trimethyl-pyrazole-4-carboxamide, N~4~-(6-ACETYL-1,3-BENZODIOXOL-5-YL)-1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBOXAMIDE
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 2.22054 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 823.2182 |
Chemical Identifiers
| CAS Number | 514799-80-5 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3 |
Product Overview
N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CAS 514799-80-5), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
Chemical Property Profile of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
Property Insights of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
The XLogP value of 2.22054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide. Following Lipinski's Rule of Five, N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide has 1 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 N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The CAS number of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide is 514799-80-5.
What is the molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide is C16H17N3O4.
What is the molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide is 315.12 g/mol.
Where can I buy N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
You can request a quote for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.