1-Methyl-4-nitropyrazol-3-yl piperidyl ketone
TL;DR: 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone (CAS 1003988-57-5) is a chemical compound with molecular formula C10H14N4O3 and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-4-nitropyrazol-3-yl)-piperidin-1-ylmethanone
Also Known As: 1-methyl-4-nitropyrazol-3-yl piperidyl ketone, Methanone,(1-methyl-4-nitro-1H-pyrazol-3-yl)-1-piperidinyl-, (1-methyl-4-nitropyrazol-3-yl)-piperidin-1-ylmethanone, (1-Methyl-4-nitro-1H-pyrazol-3-yl)-1-piperidinylmethanone, Methanone, (1-methyl-4-nitro-1H-pyrazol-3-yl)-1-piperidinyl-
| Molecular Formula | C10H14N4O3 |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.1066 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 1003988-57-5 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)N2CCCCC2)[N+](=O)[O-] |
| InChIKey | HGRCCBKXBDNGPL-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-nitropyrazol-3-yl piperidyl ketone (CAS 1003988-57-5), with molecular formula C10H14N4O3 and molecular weight 238.11 g/mol. IUPAC: (1-methyl-4-nitropyrazol-3-yl)-piperidin-1-ylmethanone.
Chemical Property Profile of 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone
Property Insights of 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone. Following Lipinski's Rule of Five, 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone has 0 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 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone?
The CAS number of 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone is 1003988-57-5.
What is the molecular formula of 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone?
The molecular formula of 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone is C10H14N4O3.
What is the molecular weight of 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone?
The molecular weight of 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone is 238.11 g/mol.
Where can I buy 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone?
You can request a quote for 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitropyrazol-3-yl piperidyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.