Name: Name:1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-bromophenyl)-
Brand: Angene
SKU: AG005FCQ
Rating: 90 (10 reviews)

1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-bromophenyl)-

CAS No.:

71856-56-9

Catalog Number:

AG005FCQ

Molecular Formula:

C10H7BrN4

Molecular Weight:

263.0934

Catalog Number:

AG005FCQ

Chemical Name:

1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-bromophenyl)-

CAS Number:

71856-56-9

Molecular Formula:

C10H7BrN4

Molecular Weight:

263.0934

MDL Number:

MFCD11925713

IUPAC Name:

5-amino-1-(3-bromophenyl)pyrazole-4-carbonitrile

InChI:

InChI=1S/C10H7BrN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2

InChI Key:

GTANIIIAZUVWIW-UHFFFAOYSA-N

SMILES:

N#Cc1cnn(c1N)c1cccc(c1)Br

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.098g/mol

Monoisotopic Mass:

261.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5