4-Nitropyrazole - CAS 2075-46-9
Catalog: |
BB016259 |
Product Name: |
4-Nitropyrazole |
CAS: |
2075-46-9 |
Synonyms: |
4-nitro-1H-pyrazole; 4-nitro-1H-pyrazole |
IUPAC Name: | 4-nitro-1H-pyrazole |
Description: | 4-Nitropyrazole (CAS# 2075-46-9) is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson's disease. |
Molecular Weight: | 113.07 |
Molecular Formula: | C3H3N3O2 |
Canonical SMILES: | C1=C(C=NN1)[N+](=O)[O-] |
InChI: | InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5) |
InChI Key: | XORHNJQEWQGXCN-UHFFFAOYSA-N |
Boiling Point: | 334 °C at 760 mmHg |
Density: | 1.552 g/cm3 |
MDL: | MFCD00159626 |
LogP: | 0.84110 |
GHS Hazard Statement: | H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113264919-A | Preparation method of 1- (2-methoxypyridin-4-yl) -1H-pyrazol-4-amine | 20210526 |
WO-2021168521-A1 | Inhibitors of necroptosis | 20200227 |
WO-2021160109-A1 | Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof | 20200213 |
WO-2021147953-A1 | Pyrimido five-membered ring derivative and application thereof | 20200121 |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
PMID | Publication Date | Title | Journal |
21448244 | 20110208 | Michael-type addition of azoles of broad-scale acidity to methyl acrylate | Beilstein journal of organic chemistry |
18512691 | 20080101 | Reactions of nitroheteroarenes with carbanions: bridging aromatic, heteroaromatic, and vinylic electrophilicity | Chemistry (Weinheim an der Bergstrasse, Germany) |
16342991 | 20051220 | Inhibitive properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic iron corrosion | Langmuir : the ACS journal of surfaces and colloids |
15464618 | 20041001 | Synthesis and anti-tuberculosis activity of N-aryl-C-nitroazoles | European journal of medicinal chemistry |
Complexity: | 99.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.022526347 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.022526347 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS