Name: Name:ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate
Brand: Angene
SKU: AG019OUP
Rating: 90 (10 reviews)

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

CAS No.:

956438-46-3

Catalog Number:

AG019OUP

Molecular Formula:

C16H15F3N2O3

Molecular Weight:

340.2971

Catalog Number:

AG019OUP

Chemical Name:

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

CAS Number:

956438-46-3

Molecular Formula:

C16H15F3N2O3

Molecular Weight:

340.2971

MDL Number:

MFCD07690491

IUPAC Name:

ethyl 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate

InChI:

InChI=1S/C16H15F3N2O3/c1-4-24-15(23)14(22)13-9(2)20-21(10(13)3)12-7-5-6-11(8-12)16(17,18)19/h5-8H,4H2,1-3H3

InChI Key:

RCYWSYKLJDKNDX-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=O)c1c(C)nn(c1C)c1cccc(c1)C(F)(F)F

Complexity:

484

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.302g/mol

Monoisotopic Mass:

340.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7