N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine
TL;DR: N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine (CAS 908109-84-2) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-methyl-4-nitro-1H-pyrazol-3-amine
Also Known As: N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine, BAS 00903158, (3-methyl-4-nitropyrazol-5-yl)benzylamine, N-benzyl-5-methyl-4-nitro-1H-pyrazol-3-amine, Benzyl-(5-methyl-4-nitro-1H-pyrazol-3-yl)-amine
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 2.23842 |
| Topological Polar Surface Area | 83.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 521.52264 |
Chemical Identifiers
| CAS Number | 908109-84-2 |
|---|---|
| SMILES | CC1=C(C(=NN1)NCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine (CAS 908109-84-2), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: N-benzyl-5-methyl-4-nitro-1H-pyrazol-3-amine.
Chemical Property Profile of N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine
Property Insights of N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine
The XLogP value of 2.23842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine. The TPSA of 83.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine. Following Lipinski's Rule of Five, N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine has 2 hydrogen bond donor(s) and 4 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-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine?
The CAS number of N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine is 908109-84-2.
What is the molecular formula of N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine?
The molecular formula of N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine is C11H12N4O2.
What is the molecular weight of N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine?
The molecular weight of N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine is 232.10 g/mol.
Where can I buy N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine?
You can request a quote for N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-methyl-4-nitro-1H-pyrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.