Phosphodiesterase 4 Inhibitors
PubChem CID: 656969
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| Compound Synonyms | Phosphodiesterase 4 Inhibitor, 346440-86-6, 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, ethyl 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylate, DTXSID70349675, ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester, 7DE, 3,5-Dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester, Inhibitor, PDE4, PDE 4 Inhibitor, Inhibitors, PDE4, PDE 4 Inhibitors, Inhibitor, PDE-4, Inhibitors, PDE-4, Phosphodiesterase 4 Inhibitors, 4 Inhibitor, Phosphodiesterase, Inhibitor, Phosphodiesterase 4, Inhibitors, Phosphodiesterase 4, Phosphodiesterase Type 4 Inhibitor, Phosphodiesterase 4, Phosphodiesterase Type 4 Inhibitors, 1y2j, 1y2k, Pyrazole carboxylic ester 21, phosphodiesterase IV inhibitor, phosphodiesterase IV inhibitors, SCHEMBL2201643, CHEMBL1230564, BDBM14798, CHEBI:68844, DTXCID10300745, MSYGAHOHLUJIKV-UHFFFAOYSA-N, type 4 phosphodiesterase inhibitor, type 4 phosphodiesterase inhibitors, AKOS040754989, DB01959, NCGC00387777-01, DB-114471, NS00068179, Q27093055 |
|---|---|
| Topological Polar Surface Area | 89.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MSYGAHOHLUJIKV-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | Phosphodiesterase 4 Inhibitors |
| Description | 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester is a member of the class of compounds known as phenylpyrazoles. Phenylpyrazoles are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester is practically insoluble (in water) and a moderately basic compound (based on its pKa). 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester can be found in a number of food items such as common wheat, yellow bell pepper, green bell pepper, and common grape, which makes 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester a potential biomarker for the consumption of these food products. |
| Exact Mass | 289.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.106 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 289.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3 |
| Smiles | CCOC(=O)C1=C(N(N=C1C)C2=CC(=CC=C2)[N+](=O)[O-])C |
| Xlogp | 2.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H15N3O4 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all