N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
TL;DR: N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide (CAS 353455-13-7) is a chemical compound with molecular formula C10H15N5O5 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
Also Known As: N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide, BAS 00398079, N-butyl-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide, N-Butyl-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-acetamide, N-butyl-2-(5-methyl-3,4-dinitropyrazolyl)acetamide
| Molecular Formula | C10H15N5O5 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 0.92422 |
| Topological Polar Surface Area | 133.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.10733 |
| Heavy Atoms | 20 |
| Complexity | 538.3858 |
Chemical Identifiers
| CAS Number | 353455-13-7 |
|---|---|
| SMILES | CCCCNC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide (CAS 353455-13-7), with molecular formula C10H15N5O5 and molecular weight 285.11 g/mol. IUPAC: N-butyl-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.
Chemical Property Profile of N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
Property Insights of N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
The XLogP value of 0.92422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide. The TPSA of 133.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide 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-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
The CAS number of N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide is 353455-13-7.
What is the molecular formula of N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
The molecular formula of N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide is C10H15N5O5.
What is the molecular weight of N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
The molecular weight of N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide is 285.11 g/mol.
Where can I buy N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
You can request a quote for N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.