Name: Name:3-(4-bromo-1H-pyrazol-1-yl)-2-methyl-2-(methylamino)propanenitrile
Brand: Angene
SKU: AG019S6I
Rating: 90 (10 reviews)

3-(4-bromo-1H-pyrazol-1-yl)-2-methyl-2-(methylamino)propanenitrile

CAS No.:

1247560-16-2

Catalog Number:

AG019S6I

Molecular Formula:

C8H11BrN4

Molecular Weight:

243.1037

Catalog Number:

AG019S6I

Chemical Name:

3-(4-bromo-1H-pyrazol-1-yl)-2-methyl-2-(methylamino)propanenitrile

CAS Number:

1247560-16-2

Molecular Formula:

C8H11BrN4

Molecular Weight:

243.1037

MDL Number:

MFCD16134952

IUPAC Name:

3-(4-bromopyrazol-1-yl)-2-methyl-2-(methylamino)propanenitrile

InChI:

InChI=1S/C8H11BrN4/c1-8(5-10,11-2)6-13-4-7(9)3-12-13/h3-4,11H,6H2,1-2H3

InChI Key:

XYWRAIXRQSEARV-UHFFFAOYSA-N

SMILES:

CC(C#N)(NC)Cn1cc(cn1)Br

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.108g/mol

Monoisotopic Mass:

242.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4