1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde - CAS 21487-45-6
Catalog: |
BB016909 |
Product Name: |
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde |
CAS: |
21487-45-6 |
Synonyms: |
1,3-diphenylpyrazole-4-carbaldehyde |
IUPAC Name: | 1,3-diphenylpyrazole-4-carbaldehyde |
Description: | 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde (CAS# 21487-45-6) is used in the synthesis of asymmetric thiazolyl pyrazolines as a potential antioxidant and anti-Inflammatory agents. |
Molecular Weight: | 248.28 |
Molecular Formula: | C16H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H |
InChI Key: | LZGBMIZREYTWRI-UHFFFAOYSA-N |
Boiling Point: | 442.2 °C at 760 mmHg |
Melting Point: | 142-146 °C |
Purity: | 95 % |
Density: | 1.14 g/cm3 |
Solubility: | <0.3 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Solid |
MDL: | MFCD00525714 |
LogP: | 3.35180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20210109861-A | Novel carboxamide compound and compositions for preventing or treating metabolic diseases comprising the same | 20200228 |
EP-3782977-A1 | Cyclopropanation method and reagent | 20190822 |
CN-109970654-B | A series of substituted 2-phenyl pyrazole derivatives, and preparation method and application thereof | 20190521 |
CN-101548974-A | Compound having fluorescent characteristic and anti-cancer activity, preparation thereof and application thereof | 20090526 |
CN-101548974-B | Compound having fluorescent characteristic and anti-cancer activity, preparation thereof and application thereof | 20090526 |
PMID | Publication Date | Title | Journal |
22429912 | 20120601 | Cobalt, nickel, copper and zinc complexes with 1,3-diphenyl-1H-pyrazole-4-carboxaldehyde Schiff bases: antimicrobial, spectroscopic, thermal and fluorescence studies | European journal of medicinal chemistry |
22220106 | 20111101 | (E)-1-(2,4-Dichloro-phen-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21589466 | 20101113 | 1,3-Diphenyl-1H-pyrazole-4-carbaldehyde | Acta crystallographica. Section E, Structure reports online |
12161064 | 20020801 | 1,3-Diphenylpyrazoles: synthesis and antiparasitic activities of azomethine derivatives | European journal of medicinal chemistry |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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