5-Amino-4-(4-fluorophenyl)-1H-pyrazole - CAS 5848-05-5
Catalog: |
BB030051 |
Product Name: |
5-Amino-4-(4-fluorophenyl)-1H-pyrazole |
CAS: |
5848-05-5 |
Synonyms: |
4-(4-fluorophenyl)-1H-pyrazol-5-amine |
IUPAC Name: | 4-(4-fluorophenyl)-1H-pyrazol-5-amine |
Description: | 5-Amino-4-(4-fluorophenyl)-1H-pyrazole (CAS# 5848-05-5 ) is a useful research chemical. |
Molecular Weight: | 177.18 |
Molecular Formula: | C9H8FN3 |
Canonical SMILES: | C1=CC(=CC=C1C2=C(NN=C2)N)F |
InChI: | InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13) |
InChI Key: | SIXWIUJQBBANGK-UHFFFAOYSA-N |
Boiling Point: | 388.8 °C at 760 mmHg |
Density: | 1.334 g/cm3 |
LogP: | 2.37920 |
GHS Hazard Statement: | H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2015342021-B2 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
EP-3215505-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
EP-3215505-B1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
JP-2017533235-A | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
RU-2713937-C2 | Piperidinylpyrazolopyrimidinones and use thereof | 20141103 |
PMID | Publication Date | Title | Journal |
21763743 | 20111001 | The G protein-coupled cannabinoid-1 (CB1) receptor of mammalian brain: inhibition by phthalate esters in vitro | Neurochemistry international |
21721229 | 20110601 | [Chemical composition of essential oils from leaves of Helicteres guazumifolia (Sterculiaceae), Piper tuberculatum (Piperaceae), Scoparia dulcis (Arecaceae) and Solanum subinerme (Solanaceae) from Sucre, Venezuela] | Revista de biologia tropical |
12475350 | 20021218 | Creating new supramolecular materials by architecture of three-dimensional nanocrystal fiber networks | Journal of the American Chemical Society |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.07022543 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.07022543 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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