4-Phenylpyrazole - CAS 10199-68-5
Catalog: |
BB000730 |
Product Name: |
4-Phenylpyrazole |
CAS: |
10199-68-5 |
Synonyms: |
4-phenyl-1H-pyrazole; 4-phenyl-1H-pyrazole |
IUPAC Name: | 4-phenyl-1H-pyrazole |
Description: | 4-Phenylpyrazole (CAS# 10199-68-5) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C9H8N2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CNN=C2 |
InChI: | InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11) |
InChI Key: | GPGKNEKFDGOXPO-UHFFFAOYSA-N |
Boiling Point: | 340.9 °C at 760 mmHg |
Density: | 1.141 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.07670 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188938-A1 | Phd inhibitor compounds, compositions, and use | 20200320 |
WO-2021183439-A1 | Substituted furo[3,2-d]pyrimidines and uses thereof | 20200309 |
KR-20210099840-A | A novel compound, a method for preparing the same, and a negative active material for a redox flow battery including the new compound, and a redox flow battery comprising the same | 20200205 |
JP-2021121581-A | 3- (Pyrazole-1-yl) benzoic acid amide derivative and pest control agent | 20200131 |
WO-2021146192-A1 | Substituted pyrazolo-pyrimidines and uses thereof | 20200113 |
PMID | Publication Date | Title | Journal |
21837019 | 20110701 | (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl-idene]cyclo-hexa-none | Acta crystallographica. Section E, Structure reports online |
20450195 | 20100609 | Design, synthesis, and insecticidal activities of phthalamides containing a hydrazone substructure | Journal of agricultural and food chemistry |
21577943 | 20090919 | 4-Phenyl-9,12,15-trioxa-1,5,6,18-tetra-azatetra-cyclo-[16.6.1.0.0]penta-conta-2,4,19,21,23-pentaen-25-one | Acta crystallographica. Section E, Structure reports online |
17451234 | 20070517 | Identification of inhibitors of protein kinase B using fragment-based lead discovery | Journal of medicinal chemistry |
12666249 | 20030301 | Synthesis of 5-substituted 2-methylbenzimidazoles with anticancer activity | Archiv der Pharmazie |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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