1-Methyl-3-nitropyrazole - CAS 54210-32-1
Catalog: |
BB028556 |
Product Name: |
1-Methyl-3-nitropyrazole |
CAS: |
54210-32-1 |
Synonyms: |
1-methyl-3-nitropyrazole; 1-methyl-3-nitropyrazole |
IUPAC Name: | 1-methyl-3-nitropyrazole |
Description: | 1-Methyl-3-nitropyrazole (CAS# 54210-32-1) is a useful research chemical. |
Molecular Weight: | 127.10 |
Molecular Formula: | C4H5N3O2 |
Canonical SMILES: | CN1C=CC(=N1)[N+](=O)[O-] |
InChI: | InChI=1S/C4H5N3O2/c1-6-3-2-4(5-6)7(8)9/h2-3H,1H3 |
InChI Key: | KLAQNTBUXCCZHC-UHFFFAOYSA-N |
Boiling Point: | 244.4 ℃ at 760 mmHg |
Density: | 1.44 g/cm3 |
MDL: | MFCD03444368 |
LogP: | 0.85150 |
Publication Number | Title | Priority Date |
CN-110734456-A | compounds, preparation method and medical application thereof | 20191106 |
CN-109793733-A | 3- amino -5- alkynyl pyrazole compound is as FGFR inhibitor | 20190328 |
CN-110177551-A | The heterocyclic modulators of lipid synthesis | 20161111 |
CN-109641882-A | Heteroaromatic derivative as NIK inhibitor | 20160630 |
CN-109071546-A | Pyrazolo [1,5-A] pyrazine -4- radical derivative as JAK inhibitor | 20160224 |
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: | 0.4 |
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Related Functional Groups
Pyrazoles
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