1-Methyl-4-nitropyrazole - CAS 3994-50-1
Catalog: |
BB024212 |
Product Name: |
1-Methyl-4-nitropyrazole |
CAS: |
3994-50-1 |
Synonyms: |
1-methyl-4-nitropyrazole; 1-methyl-4-nitropyrazole |
IUPAC Name: | 1-methyl-4-nitropyrazole |
Description: | 1-Methyl-4-nitropyrazole (CAS# 3994-50-1) is a useful research chemical. |
Molecular Weight: | 127.10 |
Molecular Formula: | C4H5N3O2 |
Canonical SMILES: | CN1C=C(C=N1)[N+](=O)[O-] |
InChI: | InChI=1S/C4H5N3O2/c1-6-3-4(2-5-6)7(8)9/h2-3H,1H3 |
InChI Key: | CZVJIVYLYOVBRP-UHFFFAOYSA-N |
Boiling Point: | 244.4 °C at 760 mmHg |
Density: | 1.44 g/cm3 |
LogP: | 0.85150 |
Publication Number | Title | Priority Date |
US-2021070749-A1 | Process for the preparation of a medicament | 20190911 |
WO-2021013209-A1 | Macrocyclic derivatives as factor xia inhibitors | 20190723 |
CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 20190129 |
WO-2020156283-A1 | Alkynylpyrimidine or alkynylpyridine compound, and composition and application thereof | 20190129 |
CN-110885331-A | Preparation and application of novel 6-amino-1H-pyrazolo [3, 4-d ] pyrimidine JAK kinase inhibitor | 20180911 |
PMID | Publication Date | Title | Journal |
16170855 | 20051201 | Free radicals in vicarious C-amination reactions of 1-methyl-4-nitropyrazole | Magnetic resonance in chemistry : MRC |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.038176411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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