1-methyl-4-nitro-1H-pyrazole-5-carbaldehyde - CAS 1517860-48-8
Catalog: |
BB010716 |
Product Name: |
1-methyl-4-nitro-1H-pyrazole-5-carbaldehyde |
CAS: |
1517860-48-8 |
Synonyms: |
2-methyl-4-nitro-3-pyrazolecarboxaldehyde; 2-methyl-4-nitropyrazole-3-carbaldehyde |
IUPAC Name: | 2-methyl-4-nitropyrazole-3-carbaldehyde |
Description: | 1-methyl-4-nitro-1H-pyrazole-5-carbaldehyde (CAS# 1517860-48-8 ) is a useful research chemical. |
Molecular Weight: | 155.113 |
Molecular Formula: | C5H5N3O3 |
Canonical SMILES: | CN1C(=C(C=N1)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C5H5N3O3/c1-7-5(3-9)4(2-6-7)8(10)11/h2-3H,1H3 |
InChI Key: | IZIYKUMGMYONAT-UHFFFAOYSA-N |
LogP: | 0.66400 |
Publication Number | Title | Priority Date |
CA-2939848-A1 | Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20140318 |
CN-106573927-A | Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20140318 |
CN-106573927-B | Oxepane -2- base-pyrazoles -4- base-heterocycle-benzamide compound and application method | 20140318 |
EP-3119775-A1 | Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20140318 |
EP-3119775-B1 | Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20140318 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.03309103 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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