Name: Name:1-Piperidinecarboxylic acid, 4-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001KCJ
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester

CAS No.:

1449117-75-2

Catalog Number:

AG001KCJ

Molecular Formula:

C14H19BrF3N3O2

Molecular Weight:

398.2188

Catalog Number:

AG001KCJ

Chemical Name:

1-Piperidinecarboxylic acid, 4-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester

CAS Number:

1449117-75-2

Molecular Formula:

C14H19BrF3N3O2

Molecular Weight:

398.2188

MDL Number:

MFCD23704690

IUPAC Name:

tert-butyl 4-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate

InChI:

InChI=1S/C14H19BrF3N3O2/c1-13(2,3)23-12(22)20-6-4-9(5-7-20)21-8-10(15)11(19-21)14(16,17)18/h8-9H,4-7H2,1-3H3

InChI Key:

SMMIWYRZILPSNV-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)n1cc(c(n1)C(F)(F)F)Br)OC(C)(C)C

Complexity:

434

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.224g/mol

Monoisotopic Mass:

397.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2