| CAS Number | 1078161-73-5 |
| Catalog Number | AG019L1E |
| Chemical Name | ethyl 2-amino-2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate hydrochloride |
| IUPAC Name | ethyl 2-amino-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetate;hydrochloride |
| InChI | InChI=1S/C15H18FN3O2.ClH/c1-4-21-15(20)14(17)13-9(2)18-19(10(13)3)12-7-5-11(16)6-8-12;/h5-8,14H,4,17H2,1-3H3;1H |
| InChI Key | ZSBDLXZRHOJKJD-UHFFFAOYSA-N |
| MDL Number | MFCD09834104 |
| Molecular Formula | C15H19ClFN3O2 |
| Molecular Weight | 327.7817 |
| SMILES | Cl.CCOC(C(C1=C(C)N(C2=CC=C(F)C=C2)N=C1C)N)=O |
| Synonyms | ethyl 2-amino-2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate hydrochloride,
1078161-73-5,
ethyl amino[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate hydrochloride,
AC1Q39WD,
CTK6F3898,
AKOS033871746,
MCULE-2039336176,
NE20205,
EN300-29495,
Z235362777,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.784g/mol |
| Monoisotopic Mass | 327.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number