Name: Name:2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]propanoic acid
Brand: Angene
SKU: AG01A504
Rating: 90 (10 reviews)

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]propanoic acid

CAS No.:

1432679-18-9

Catalog Number:

AG01A504

Molecular Formula:

C10H13F3N2O2

Molecular Weight:

250.2176

Catalog Number:

AG01A504

Chemical Name:

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]propanoic acid

CAS Number:

1432679-18-9

Molecular Formula:

C10H13F3N2O2

Molecular Weight:

250.2176

MDL Number:

MFCD24369196

IUPAC Name:

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanoic acid

InChI:

InChI=1S/C10H13F3N2O2/c1-5(9(16)17)8-6(2)14-15(7(8)3)4-10(11,12)13/h5H,4H2,1-3H3,(H,16,17)

InChI Key:

STCIXWLFZGDZGX-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1c(C)nn(c1C)CC(F)(F)F)C

Complexity:

296

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.221g/mol

Monoisotopic Mass:

250.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1