(5-nitro-1H-pyrazol-3-yl)methanol
Names and Identifiers of 1000895-25-9
CAS Number |
1000895-25-9 |
|---|---|
MDL Number |
MFCD12025912 |
IUPAC Name |
(5-nitro-1H-pyrazol-3-yl)methanol |
InChI |
InChI=1S/C4H5N3O3/c8-2-3-1-4(6-5-3)7(9)10/h1,8H,2H2,(H,5,6) |
InChIKey |
KXBNQNCHAUDZRL-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(NN=C1CO)[N+](=O)[O-] |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000895-25-9
Boiling Point |
475.4±30.0 °C at 760 mmHg |
|---|---|
Density |
1.7±0.1 g/cm3 |
Exact Mass |
143.033096 |
Flash Point |
241.3±24.6 °C |
Index of Refraction |
1.655 |
LogP |
-0.97 |
Molecular Formula |
C4H5N3O3 |
Molecular Weight |
143.101 |
PSA |
94.73000 |
Vapour Pressure |
0.0±1.2 mmHg at 25°C |
Safety Information of 1000895-25-9
Applications of 1000895-25-9
(5-nitro-1H-pyrazol-3-yl)methanol finds applications in various fields:
- Pharmaceuticals: Due to its potential antimicrobial and anti-inflammatory properties.
- Chemical Synthesis: As an intermediate for synthesizing other biologically active compounds.
Its unique structural features allow it to serve as a versatile building block in organic synthesis.
Interaction Studies of 1000895-25-9
Studies on the interactions of (5-nitro-1H-pyrazol-3-yl)methanol reveal that its nitro group can participate in redox reactions within biological systems, influencing its reactivity and biological effects. The compound's ability to form hydrogen bonds through its hydroxymethyl group enhances its interaction with various biological targets, potentially leading to significant pharmacological activities.
Biological Activity of 1000895-25-9
The biological activity of (5-nitro-1H-pyrazol-3-yl)methanol is largely attributed to its nitro group, which can undergo bioreduction in biological systems. This process generates reactive intermediates that may interact with cellular components, potentially exhibiting antimicrobial or anti-inflammatory effects. Additionally, the hydroxymethyl group facilitates hydrogen bonding and other interactions with biological targets, enhancing its pharmacological profile.
Physical sample testing spectrum (NMR) of 1000895-25-9
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