Name: Name:tert-Butyl 3-(4-bromo-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
Brand: Angene
SKU: AG000QG6
Rating: 90 (10 reviews)

tert-Butyl 3-(4-bromo-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

CAS No.:

1201657-89-7

Catalog Number:

AG000QG6

Molecular Formula:

C12H18BrN3O2

Molecular Weight:

316.1942

Catalog Number:

AG000QG6

Chemical Name:

tert-Butyl 3-(4-bromo-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

CAS Number:

1201657-89-7

Molecular Formula:

C12H18BrN3O2

Molecular Weight:

316.1942

MDL Number:

MFCD20482175

IUPAC Name:

tert-butyl 3-(4-bromopyrazol-1-yl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)15-5-4-10(8-15)16-7-9(13)6-14-16/h6-7,10H,4-5,8H2,1-3H3

InChI Key:

JCPSQLNKHVGZJG-UHFFFAOYSA-N

SMILES:

Brc1cnn(c1)C1CCN(C1)C(=O)OC(C)(C)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

315.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.199g/mol

Monoisotopic Mass:

315.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9