1-Isopropyl-4-nitropyrazole - CAS 97421-21-1
Catalog: |
BB042050 |
Product Name: |
1-Isopropyl-4-nitropyrazole |
CAS: |
97421-21-1 |
Synonyms: |
4-nitro-1-propan-2-ylpyrazole; 4-nitro-1-propan-2-ylpyrazole |
IUPAC Name: | 4-nitro-1-propan-2-ylpyrazole |
Description: | 1-Isopropyl-4-nitropyrazole (CAS# 97421-21-1) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C6H9N3O2 |
Canonical SMILES: | CC(C)N1C=C(C=N1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H9N3O2/c1-5(2)8-4-6(3-7-8)9(10)11/h3-5H,1-2H3 |
InChI Key: | CBSSFOTWGVIHFX-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD10001542 |
LogP: | 1.89540 |
Publication Number | Title | Priority Date |
WO-2021075476-A1 | Heterocyclic compound | 20191018 |
WO-2020249664-A1 | Sulfonylurea derivatives and uses thereof | 20190612 |
CN-110467615-A | Azolopyrimidines include its pharmaceutical composition and its preparation method and application | 20180510 |
AU-2018391675-A1 | Sulphonyl urea derivatives as NLRP3 inflammasome modulators | 20171218 |
TW-201930291-A | Sulfonamide derivative | 20171218 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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