![N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide structure](/static/products/4947/494790-77-1.webp)
N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide
TL;DR: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide (CAS 494790-77-1) is a chemical compound with molecular formula C15H16N4O5 and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-dioxan-2-yl)phenyl]-1-methyl-4-nitropyrazole-5-carboxamide
Also Known As: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide, N-[3-(1,3-dioxan-2-yl)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide, N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide, N-[3-(1,3-dioxan-2-yl)phenyl]-4-nitro-1-methyl-1H-pyrazole-5-carboxamide
| Molecular Formula | C15H16N4O5 |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 2.0161 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.11206 |
| Heavy Atoms | 24 |
| Complexity | 766.975 |
Chemical Identifiers
| CAS Number | 494790-77-1 |
|---|---|
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C3OCCCO3 |
Product Overview
N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide (CAS 494790-77-1), with molecular formula C15H16N4O5 and molecular weight 332.11 g/mol. IUPAC: N-[3-(1,3-dioxan-2-yl)phenyl]-1-methyl-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide
Property Insights of N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide
The XLogP value of 2.0161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-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-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide?
The CAS number of N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide is 494790-77-1.
What is the molecular formula of N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide?
The molecular formula of N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide is C15H16N4O5.
What is the molecular weight of N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide?
The molecular weight of N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide is 332.11 g/mol.
Where can I buy N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide?
You can request a quote for N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.