N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 514818-14-5) is a chemical compound with molecular formula C13H12N4O5 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitropyrazole-5-carboxamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide, 1H-Pyrazole-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitropyrazole-3-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1-methyl-1H-pyrazole-5-carboxamide, RefChem:240063
| Molecular Formula | C13H12N4O5 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 1.3518 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08078 |
| Heavy Atoms | 22 |
| Complexity | 754.88385 |
Chemical Identifiers
| CAS Number | 514818-14-5 |
|---|---|
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCO3 |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 514818-14-5), with molecular formula C13H12N4O5 and molecular weight 304.08 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 1.3518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 6 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide is 514818-14-5.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide is C13H12N4O5.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide is 304.08 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.