| CAS Number | 1032298-75-1 |
| Catalog Number | AG019K5P |
| Chemical Name | Ethyl amino(3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl)acetate hydrochloride |
| IUPAC Name | ethyl 2-amino-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetate;hydrochloride |
| InChI | InChI=1S/C16H18F3N3O2.ClH/c1-4-24-15(23)14(20)13-9(2)21-22(10(13)3)12-7-5-6-11(8-12)16(17,18)19;/h5-8,14H,4,20H2,1-3H3;1H |
| InChI Key | VOHGDXUFYBYGIR-UHFFFAOYSA-N |
| MDL Number | MFCD08457599 |
| Molecular Formula | C16H19ClF3N3O2 |
| Molecular Weight | 377.7892 |
| SMILES | Cl.CCOC(C(C1=C(C)N(C2=CC(C(F)(F)F)=CC=C2)N=C1C)N)=O |
| Synonyms | ethyl 2-amino-2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}acetate hydrochloride,
1032298-75-1,
ethyl amino{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}acetate hydrochloride,
AC1Q39WC,
CTK6F3899,
AKOS033783033,
MCULE-9276858026,
NE28642,
EN300-25619,
Z217102792,
|
| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.792g/mol |
| Monoisotopic Mass | 377.112g/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