Ethyl 5-Phenylpyrazole-3-carboxylate - CAS 5932-30-9
Catalog: |
BB030343 |
Product Name: |
Ethyl 5-Phenylpyrazole-3-carboxylate |
CAS: |
5932-30-9 |
Synonyms: |
3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester; ethyl 3-phenyl-1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 3-phenyl-1H-pyrazole-5-carboxylate |
Description: | Ethyl 5-Phenylpyrazole-3-carboxylate (CAS# 5932-30-9) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=NN1)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14) |
InChI Key: | AZZHJDRWBMQEKD-UHFFFAOYSA-N |
Boiling Point: | 427.9 °C at 760 mmHg |
Density: | 1.196 g/cm3 |
Solubility: | 10.7 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD02130942 |
LogP: | 2.25340 |
Publication Number | Title | Priority Date |
WO-2021163727-A1 | Pikfyve kinase inhibitors | 20200211 |
WO-2021113795-A1 | Compounds and methods for the treatment of cystic fibrosis | 20191205 |
WO-2020247447-A1 | Pyrazole and imidazole derivatives, compositions and methods as orexin antagonists | 20190604 |
WO-2019243999-A1 | Phenyl substituted pyrazoles as modulators of roryt | 20180618 |
US-10975037-B2 | Phenyl substituted pyrazoles as modulators of RORγt | 20180618 |
PMID | Publication Date | Title | Journal |
22209459 | 20120115 | Synthesis of 5-benzyl-2-phenylpyrazolo[1,5-a]pyrazin-4,6(5H,7H)-dione derivatives and discovery of an apoptosis inducer for H322 lung cancer cells | Bioorganic & medicinal chemistry letters |
20637610 | 20100815 | Synthesis of novel oxime-containing pyrazole derivatives and discovery of regulators for apoptosis and autophagy in A549 lung cancer cells | Bioorganic & medicinal chemistry letters |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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