Home Aminos ethyl 2-amino-2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}acetate hydrochloride

ethyl 2-amino-2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}acetate hydrochloride

CAS No.:
1032298-75-1
Catalog Number:
AG019K5P
Molecular Formula:
C16H19ClF3N3O2
Molecular Weight:
377.7892
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Product Description
Catalog Number:
AG019K5P
Chemical Name:
ethyl 2-amino-2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}acetate hydrochloride
CAS Number:
1032298-75-1
Molecular Formula:
C16H19ClF3N3O2
Molecular Weight:
377.7892
MDL Number:
MFCD08457599
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
SMILES:
CCOC(=O)C(c1c(C)nn(c1C)c1cccc(c1)C(F)(F)F)N.Cl
Properties
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
Properties