Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxylate - CAS 53561-07-2
Catalog: |
BB028267 |
Product Name: |
Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxylate |
CAS: |
53561-07-2 |
Synonyms: |
ethyl 1,5-diphenylpyrazole-4-carboxylate |
IUPAC Name: | ethyl 1,5-diphenylpyrazole-4-carboxylate |
Description: | Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxylate (CAS# 53561-07-2 ) is a useful research chemical. |
Molecular Weight: | 292.33 |
Molecular Formula: | C18H16N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C18H16N2O2/c1-2-22-18(21)16-13-19-20(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3 |
InChI Key: | DNBJQDUHQJKJCR-UHFFFAOYSA-N |
Boiling Point: | 462.6 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
LogP: | 3.71600 |
Publication Number | Title | Priority Date |
JP-WO2014069554-A1 | Quinuclidinamide derivative and its pharmaceutical use | 20121031 |
WO-2014069554-A1 | Quinuclidine amide derivative and medicinal use of same | 20121031 |
JP-2012056944-A | Pyrazole-4-carboxamide derivative, method for producing the same, and agricultural and horticultural fungicide containing the same as an active ingredient | 20100810 |
FR-2924931-A1 | Use of 1-((1H-pyrazol-4-yl)carbonyl)heterocyclic compounds in a cosmetic care and/ or makeup composition for human keratin fibers, to induce and/or stimulate their growth and reduce their loss and/or increase their density | 20071212 |
AU-2003278600-A1 | Agent for preventing or treating neuropathy | 20021101 |
PMID | Publication Date | Title | Journal |
21588637 | 20100811 | Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.121177757 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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