4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
PubChem CID: 47795
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| Compound Synonyms | 66000-40-6, BW 755C, BW-755C, BW755C, 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine, 4,5-DIHYDRO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-AMINE, 1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine, 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine, EINECS 266-051-8, 6V6JF56BXO, CHEMBL274642, 1H-Pyrazol-3-amine, 4,5-dihydro-1-(3-(trifluoromethyl)phenyl)-, DTXSID30216213, 3-Amino-1-(3-(trifluoromethyl)phenyl)-2-pyrazoline, 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine, UNII-6V6JF56BXO, 1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-amine, COMPOUND BW 755C, SCHEMBL2573191, DTXCID30138704, 1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-pyrazol-3-amine, BDBM50000540, AKOS001035530, TS-08229, DB-218555, HY-119671, CS-0077798, NS00055235, EN300-172424, G76855, 3-Amino-1-(3-trifluoromethylphenyl)-2-pyrazoline, SR-01000025386, 1-[3-(trifluoromethyl)phenyl]-3-amino-2-pyrazoline, 3-amino-1-(m-(trifluoromethyl)phenyl)-2-pyrazoline, SR-01000025386-1, Q27265569, Z56758476, 3-AMINO-1-(3-(TRIFLUOROMETHYL)PHENYL)PYRAZOLINE, 1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-3-pyrazolamine, 3-amino-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-2-pyrazoline, AMINO-1-(3-(TRIFLUOROMETHYL)PHENYL)-2-PYRAZOLINE, 3-, 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine (BW-755C), 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755 C), 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755C) |
|---|---|
| Topological Polar Surface Area | 41.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | CPXGGWXJNQSFEP-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine |
| Description | Lipoxygenase, also known as bw-755c, is a member of the class of compounds known as trifluoromethylbenzenes. Trifluoromethylbenzenes are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. Lipoxygenase is practically insoluble (in water) and a very strong basic compound (based on its pKa). Lipoxygenase can be found in soy bean, which makes lipoxygenase a potential biomarker for the consumption of this food product. Lipoxygenases (EC 1.13.11.-) are a family of (non-heme), iron-containing enzymes most of which catalyze the dioxygenation of polyunsaturated fatty acids in lipids containing a cis,cis-1,4- pentadiene into cell signaling agents that serve diverse roles as autocrine signals that regulate the function of their parent cells, paracrine signals that regulate the function of nearby cells, and endocrine signals that regulate the function of distant cells . |
| Exact Mass | 229.083 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.083 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 229.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15) |
| Smiles | C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F |
| Xlogp | 1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H10F3N3 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all