3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole
TL;DR: 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole (CAS 400877-62-5) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-(naphthalen-1-ylmethyl)-4-nitropyrazole
Also Known As: 3,5-dimethyl-1-(naphthalen-1-ylmethyl)-4-nitro-1H-pyrazole, 3,5-DIMETHYL-1-(1-NAPHTHYLMETHYL)-4-NITRO-1H-PYRAZOLE, 3,5-dimethyl-1-[(naphthalen-1-yl)methyl]-4-nitro-1H-pyrazole, 3,5-dimethyl-1-(naphthylmethyl)-4-nitropyrazole, 3,5-dimethyl-1-(naphthalen-1-ylmethyl)-4-nitropyrazole
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 3.60964 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 831.4044 |
Chemical Identifiers
| CAS Number | 400877-62-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)[N+](=O)[O-] |
Product Overview
3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole (CAS 400877-62-5), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 3,5-dimethyl-1-(naphthalen-1-ylmethyl)-4-nitropyrazole.
Chemical Property Profile of 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole
Property Insights of 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole
The XLogP value of 3.60964 indicates that 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole?
The CAS number of 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole is 400877-62-5.
What is the molecular formula of 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole?
The molecular formula of 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole is C16H15N3O2.
What is the molecular weight of 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole?
The molecular weight of 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole is 281.12 g/mol.
Where can I buy 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole?
You can request a quote for 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-(1-naphthylmethyl)-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.